SCHEMBL317530

SCHEMBL317530

CN(C)C1(c2ccccc2)CCC(N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 1.00
OPRM1 P35372 13/20 0.67
OPRK1 P41145 3/20 0.67

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL27606554 0.98 OPRL1 (0.96) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL4056482 0.98 OPRL1 (0.96) OPRL1OPRM1OPRK1
Cyanide SCHEMBL28243987 0.95 OPRL1 (0.90) OPRL1OPRM1OPRK1
SCHEMBL4357610 0.82 OPRL1 (0.70) OPRL1OPRM1OPRK1
SCHEMBL4047583 0.82 OPRL1 (0.70) OPRL1OPRM1OPRK1
SCHEMBL3413521 0.81 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL4352504 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL5382074 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1
SCHEMBL2782285 0.80 OPRL1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL14337143 0.80 OPRL1 (0.67) OPRL1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP claimed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
CN-108602778-B 8-amino-2-oxo-1, 3-diaza-spiro- [4.5] -decane derivatives 格吕伦塔尔有限公司 2021-12-10 CN disclosed
CN-108602778-A 8-amino-2-oxo-1, 3-diaza-spiro- [4.5] -decane derivatives 格吕伦塔尔有限公司 2018-09-28 CN disclosed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
CN-1533374-B Substitutled cyclohexane-1,4-diamine derivatives GRUENETHAL GMBH 2013-08-21 CN disclosed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP disclosed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US disclosed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity GRUENENTHAL GMBH (DE) 2004-11-18 US disclosed
CN-1533374-A Substitutled cyclohexane-1,4-diamine derivatives 2004-09-29 CN disclosed
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2004-08-19 US disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed
EP-1392641-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-03-03 EP disclosed
EP-1385493-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2004-02-04 EP disclosed
WO-2002089783-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2002-11-14 WO disclosed
WO-2002090317-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-11-14 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds DPYD, DDC, QDPR OPRL1 1102/4885OPRM1 459/4885OPRK1 274/4885
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 OPRL1 2457/4885OPRM1 2315/4885OPRK1 860/4885
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity ARG1, CD2, PDCD1 OPRL1 41/4885OPRM1 250/4885OPRK1 19/4885

“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.