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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.34 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.33 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.33 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.33 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.32 |
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.31 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.31 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 SCHEMBL4430349 | 1.00 | CXCR4 (0.34) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL2907938 | 0.98 | CXCR4 (0.35) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL63693 | 0.98 | CXCR4 (0.35) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL24606523 | 0.95 | CXCR4 (0.39) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL13509553 | 0.93 | CXCR4 (0.42) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL13199855 | 0.93 | CXCR4 (0.35) | CXCR4SLC6A2SLC6A4CHRM5CHRM3 | |
| SCHEMBL24857283 | 0.91 | ALDH1A1 (0.36) | CXCR4SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL18161889 | 0.90 | CXCR4 (0.40) | CXCR4MEN1KMT2ACHRM5CHRM3 | |
| Hydrochloric Acid SCHEMBL1742546 | 0.90 | MEN1 (0.38) | SLC6A2SLC6A4MEN1KMT2ACHRM5 | |
| Hydrochloric Acid SCHEMBL522550 | 0.90 | MEN1 (0.38) | SLC6A2SLC6A4MEN1KMT2ACHRM5 |
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-20140275010-A1 | QUATERNARY SALTS | ZHENG GUO ZHU (US) | 2014-09-18 | — | — | US | disclosed |
| US-8492375-B2 | 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists | GLAXO GROUP LIMITED (GB) | 2013-07-23 | — | — | US | disclosed |
| US-20110189280-A1 | DOSAGE FORM COMPRISING 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF | GLAXO GROUP LIMITED (GB) | 2011-08-04 | — | — | US | disclosed |
| US-20110190274-A1 | SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE | GLAXO GROUP LIMITED | 2011-08-04 | — | — | US | disclosed |
| EP-2328587-A1 | DOSAGE FORM COMPRISING 1-ISOPROPYL-4-{ [4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF | Glaxo Group Limited (GB) | 2011-06-08 | — | — | EP | disclosed |
| EP-2326642-A2 | SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE | Glaxo Group Limited (GB) | 2011-06-01 | — | — | EP | disclosed |
| US-20110039833-A1 | 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-02-17 | — | — | US | disclosed |
| US-7846922-B2 | 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists | GLAXO GROUP LIMITED (GB) | 2010-12-07 | — | — | US | disclosed |
| WO-2010062245-A1 | SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2010-06-03 | — | — | WO | disclosed |
| US-20100130477-A1 | Spirocyclobutyl Piperidine Derivatives | ASTRAZENECA AB (SE) | 2010-05-27 | — | — | US | disclosed |
| WO-2010023170-A1 | Dosage form comprising 1-isopropyl-4-{[4-(tetrahydro-2H-pyran- 4-yloxy)phenyl]carbonyl}hexahydro-1H-1,4-diazepine or a salt thereof | GLAXO GROUP LIMITED (GB) | 2010-03-04 | — | — | WO | disclosed |
| WO-2010018231-A2 | SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-{[4-(TETRAHYDRO-2H-PYRAN- 4-YLOXY)PHENYL]CARBONYL}HEXAHYDRO-1H-1,4-DIAZEPINE | GLAXO GROUP LIMITED (GB) | 2010-02-18 | — | — | WO | disclosed |
| EP-1802307-B1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LTD (GB) | 2008-02-27 | — | — | EP | disclosed |
| US-20080045505-A1 | 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists | GLAXO GROUP LIMITED (GB) | 2008-02-21 | — | — | US | disclosed |
| US-20080045506-A1 | Pyrrolidine Derivatives as Histamine Receptors Ligands | GLAXO GROUP LIMITED (GB) | 2008-02-21 | — | — | US | disclosed |
| EP-1802307-A1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2007-07-04 | — | — | EP | disclosed |
| EP-1675838-A1 | 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2006040192-A1 | PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS | GLAXO GROUP LIMITED (GB) | 2006-04-20 | — | — | WO | disclosed |
| WO-2005040144-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-05-06 | — | — | WO | 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 (7 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-20110039833-A1 | 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS | HRH3, HRH4, HRH1 | SLC6A2 333/4885SLC6A4 320/4885CHRM5 130/4885 |
| US-20140275010-A1 | QUATERNARY SALTS | TP53, VHL, SF3B5 | SLC6A2 1874/4885SLC6A4 2263/4885CHRM5 4753/4885 |
| US-20080045506-A1 | Pyrrolidine Derivatives as Histamine Receptors Ligands | HRH4, HRH3, HRH2 | SLC6A2 523/4885SLC6A4 583/4885CHRM5 185/4885 |
| US-20100130477-A1 | Spirocyclobutyl Piperidine Derivatives | HRH3, HRH4, HRH2 | SLC6A2 2955/4885SLC6A4 2260/4885CHRM5 615/4885 |
| US-20110190274-A1 | SALT OF, AND PROCESSES FOR THE PREPARATION OF, 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE | GRIK4, GRIK1, IPO4 | SLC6A2 931/4885SLC6A4 93/4885CHRM5 228/4885 |
| US-20110189280-A1 | DOSAGE FORM COMPRISING 1-ISOPROPYL-4-HEXAHYDRO-1H-1,4-DIAZEPINE OR A SALT THEREOF | HPD, ME1, SLC16A1 | SLC6A2 340/4885SLC6A4 114/4885CHRM5 289/4885 |
| US-20080045505-A1 | 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists | HRH3, HRH4, HRH1 | SLC6A2 302/4885SLC6A4 348/4885CHRM5 148/4885 |
“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.