Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 4/20 | 0.63 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.61 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.61 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.61 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.49 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.49 |
| ▸ | HTR2B known ✓ | P41595 | 2/20 | 0.49 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.47 |
| ▸ | DDB1 known ✓ | Q16531 | 1/20 | 0.46 |
| ▸ | CRBN known ✓ | Q96SW2 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1774650 | 1.00 | HTR2C (0.63) | HTR2CSLC6A2SLC6A4SLC6A3DRD2 | |
| SCHEMBL1335668 | 0.98 | SLC6A2 (0.63) | HTR2CSLC6A2SLC6A4SLC6A3DRD2 | |
| SCHEMBL1335667 | 0.98 | SLC6A2 (0.63) | HTR2CSLC6A2SLC6A4SLC6A3DRD2 | |
| SCHEMBL30997824 | 0.79 | HTR2C (0.77) | HTR2CDRD2HTR2AHTR2BADRA1A | |
| SCHEMBL1515134 | 0.79 | HTR2C (0.77) | HTR2CDRD2HTR2AHTR2BADRA1A | |
| SCHEMBL1335696 | 0.78 | SLC6A4 (0.49) | HTR2CSLC6A2SLC6A4SLC6A3DRD2 | |
| SCHEMBL1335693 | 0.78 | SLC6A4 (0.49) | HTR2CSLC6A2SLC6A4SLC6A3DRD2 | |
| Hydrochloric Acid SCHEMBL4892036 | 0.78 | HTR2C (1.00) | HTR2CDRD2HTR2AHTR2BADRA1A | |
| SCHEMBL30041804 | 0.77 | HTR2C (0.58) | HTR2CDRD2HTR2AHTR2BADRA1A | |
| SCHEMBL7844832 | 0.76 | HTR2C (0.72) | HTR2CDRD2HTR2AHTR2BADRA1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183232-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-06-15 | — | — | US | disclosed |
| US-11548887-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-01-10 | — | — | US | disclosed |
| US-20210024515-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-01-28 | — | — | US | disclosed |
| US-10745394-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-08-18 | — | — | US | disclosed |
| US-20190308966-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-10-10 | — | — | US | disclosed |
| US-10426766-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-10-01 | — | — | US | disclosed |
| US-10377751-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-08-13 | — | — | US | disclosed |
| US-20190119267-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-04-25 | — | — | US | disclosed |
| US-10081626-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2018-09-25 | — | — | US | disclosed |
| US-20180200246-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2018-07-19 | — | — | US | disclosed |
| US-20110184008-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | THERAVANCE, INC. (US) | 2011-07-28 | — | — | US | disclosed |
| EP-2001876-B1 | 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2011-05-18 | — | — | EP | disclosed |
| US-7943772-B2 | Crystalline forms of an 8-azabicyclo(3.2.1)octane compound | THERAVANCE, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20100152199-A1 | HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-7691878-B2 | Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2010-04-06 | — | — | US | disclosed |
| US-20100035921-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2010-02-11 | — | — | US | disclosed |
| US-7622508-B2 | 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus | THERAVANCE, INC. (US) | 2009-11-24 | — | — | US | disclosed |
| US-20090062334-A1 | Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE, INC. | 2009-03-05 | — | — | US | disclosed |
| US-20080207676-A1 | Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-08-28 | — | — | US | disclosed |
| US-20070219278-A1 | 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-09-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190308966-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20110184008-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | HTR2C 24/4885SLC6A2 457/4885SLC6A4 289/4885 |
| US-20210024515-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-10377751-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20190119267-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20180200246-A1 | CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND | OPRM1, SIGMAR1, OPRD1 | HTR2C 24/4885SLC6A2 457/4885SLC6A4 289/4885 |
| US-10426766-B2 | Crystalline forms of an 8-azabicyclo[3.2.1]octane compound | OPRM1, SIGMAR1, OPRD1 | HTR2C 24/4885SLC6A2 457/4885SLC6A4 289/4885 |
| US-10745394-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20230183232-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20080207676-A1 | Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound | OPRM1, SIGMAR1, OPRD1 | HTR2C 21/4885SLC6A2 453/4885SLC6A4 289/4885 |
| US-10081626-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20100152199-A1 | HETEROARYLALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 31/4885SLC6A2 491/4885SLC6A4 701/4885 |
| US-20100035921-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-11548887-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRD1, OPRK1 | HTR2C 99/4885SLC6A2 778/4885SLC6A4 1035/4885 |
| US-20090062334-A1 | Heteroarylalkyl-8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | OPRM1, OPRD1, OPRK1 | HTR2C 31/4885SLC6A2 491/4885SLC6A4 701/4885 |
| US-20070219278-A1 | 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus | OPRM1, OPRD1, OGFR | HTR2C 58/4885SLC6A2 1119/4885SLC6A4 1008/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.