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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 20/20 | 1.00 |
| ▸ | OPRD1 known ✓ | P41143 | 3/20 | 0.74 |
| ▸ | OPRK1 known ✓ | P41145 | 3/20 | 0.74 |
| ▸ | OPRL1 | P41146 | 6/20 | 1.00 |
| ▸ | OGFRL1 | Q5TC84 | 17/20 | 0.98 |
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 | |
|---|---|---|---|---|
| SCHEMBL682592 | 0.99 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL15007659 | 0.86 | OPRM1 (0.98) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| SCHEMBL682578 | 0.86 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL1304169 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| SCHEMBL682517 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| SCHEMBL681606 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL154336 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL29353179 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL566256 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL10035739 | 0.85 | OPRM1 (1.00) | OPRM1OPRL1OGFRL1OPRD1OPRK1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | GRUENENTHAL GMBH (DE) | 2011-12-29 | — | — | US | claimed |
| US-8053576-B2 | Treating conditions associated with the nociceptin/ORL1 receptor system, e.g. pain, drug withdrawal, anxiety, muscle relaxants, anxiolytic agents; e.g. 1,1-[3-dimethylamino-3-(pyridin-2-yl)pentamethylene]-3,4-dihydro-1H-2,9-diazafluorene | GRUENENTHAL GMBH (DE) | 2011-11-08 | — | — | US | claimed |
| US-7799931-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-09-21 | — | — | US | claimed |
| EP-1560835-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-09-02 | — | — | EP | claimed |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-25 | — | — | US | claimed |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | GRENENTHAL GMBH (DE) | 2009-06-18 | — | — | US | claimed |
| US-20060004034-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2006-01-05 | — | — | US | claimed |
| US-9862719-B2 | Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds | GRUENENTHAL GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| US-20150322080-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | ADNEURIS THERAPEUTICS, INC. | 2015-11-12 | — | — | US | disclosed |
| US-9120797-B2 | Process for preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds | GRUENENTHAL GMBH (DE) | 2015-09-01 | — | — | US | disclosed |
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | GRUENENTHAL GMBH (DE) | 2011-12-29 | — | — | US | disclosed |
| US-8053576-B2 | Treating conditions associated with the nociceptin/ORL1 receptor system, e.g. pain, drug withdrawal, anxiety, muscle relaxants, anxiolytic agents; e.g. 1,1-[3-dimethylamino-3-(pyridin-2-yl)pentamethylene]-3,4-dihydro-1H-2,9-diazafluorene | GRUENENTHAL GMBH (DE) | 2011-11-08 | — | — | US | disclosed |
| US-7951948-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2011-05-31 | — | — | US | disclosed |
| US-20100240897-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| US-7799931-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-09-21 | — | — | US | disclosed |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | GRENENTHAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7547707-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2009-06-16 | — | — | US | disclosed |
| US-20060004034-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2006-01-05 | — | — | 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 (6 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-20060004034-A1 | Spirocyclic cyclohexane compounds | PKD1, PKD2, HSD17B7 | OPRM1 1225/4885OPRD1 500/4885OPRK1 237/4885 |
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 2030/4885OPRD1 994/4885OPRK1 500/4885 |
| US-20150322080-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 2030/4885OPRD1 994/4885OPRK1 500/4885 |
| US-20100240897-A1 | Spirocyclic Cyclohexane Compounds | PKD1, PKD2, HSD17B7 | OPRM1 1225/4885OPRD1 500/4885OPRK1 237/4885 |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | PKD1, PKD2, HSD17B7 | OPRM1 1225/4885OPRD1 500/4885OPRK1 237/4885 |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 1881/4885OPRD1 854/4885OPRK1 367/4885 |
“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.