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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 14/20 | 0.56 |
| ▸ | OPRK1 known ✓ | P41145 | 2/20 | 0.55 |
| ▸ | OPRL1 | P41146 | 17/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051249 | 0.98 | OPRL1 (0.63) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL5449940 | 0.87 | OPRL1 (0.60) | OPRL1OPRM1OPRK1 | |
| SCHEMBL5156523 | 0.85 | OPRL1 (0.62) | OPRL1OPRM1OPRK1 | |
| Citric Acid SCHEMBL5339467 | 0.85 | OPRL1 (0.48) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL5572132 | 0.83 | OPRM1 (0.50) | OPRL1OPRM1 | |
| SCHEMBL19151630 | 0.82 | OPRL1 (0.55) | OPRL1OPRM1OPRK1 | |
| SCHEMBL2985663 | 0.81 | OPRM1 (0.51) | OPRL1OPRM1 | |
| Hydrochloric Acid SCHEMBL6249760 | 0.80 | OPRL1 (0.55) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL4850770 | 0.79 | OPRL1 (0.67) | OPRL1OPRM1OPRK1 | |
| Hydrochloric Acid SCHEMBL4056482 | 0.78 | OPRL1 (0.96) | OPRL1OPRM1OPRK1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1751088-B1 | OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-10-08 | — | — | EP | claimed |
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | claimed |
| US-7476763-B2 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2009-01-13 | — | — | US | claimed |
| US-7348354-B2 | Cyclohexylurea compounds | GRUENENTHAL GMBH (DE) | 2008-03-25 | — | — | US | claimed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | claimed |
| US-20070088034-A1 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-04-19 | — | — | US | claimed |
| US-7173045-B2 | 4-aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2007-02-06 | — | — | US | claimed |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | GRUENENTHAL GMBH (DE) | 2005-11-24 | — | — | US | claimed |
| US-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2005-11-03 | — | — | US | claimed |
| US-7476763-B2 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2009-01-13 | — | — | US | disclosed |
| US-7348354-B2 | Cyclohexylurea compounds | GRUENENTHAL GMBH (DE) | 2008-03-25 | — | — | US | disclosed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | disclosed |
| US-20070088034-A1 | Oxo-substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-04-19 | — | — | US | disclosed |
| US-7173045-B2 | 4-aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2007-02-06 | — | — | US | disclosed |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | GRUENENTHAL GMBH (DE) | 2005-11-24 | — | — | US | disclosed |
| US-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2005-11-03 | — | — | 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 (4 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-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | HNMT, PNMT, INMT | OPRM1 69/4885OPRK1 190/4885OPRL1 378/4885 |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | OPRL1, OPRM1, OGFRL1 | OPRM1 2/4885OPRK1 5/4885OPRL1 1/4885 |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | DDC, DPYD, PKD1 | OPRM1 2315/4885OPRK1 860/4885OPRL1 2457/4885 |
| US-20070088034-A1 | Oxo-substituted cyclohexyl-1,4-diamine compounds | AOC1, ODC1, OTC | OPRM1 743/4885OPRK1 225/4885OPRL1 782/4885 |
“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.