SCHEMBL735963

SCHEMBL735963

CN(C)C1(c2ccccc2)CCC(O)(c2[nH]c3ncccc3c2CCCOC2CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
OPRM1 P35372 15/20 0.36
OPRL1 P41146 11/20 0.36
OGFRL1 Q5TC84 5/20 0.36
OPRK1 P41145 4/20 0.36
OPRD1 P41143 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14110464 0.94 KDM4C (0.37) KDM4COPRM1OPRL1OGFRL1OPRK1
SCHEMBL736247 0.74 OPRL1 (0.54) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL736090 0.71 OPRL1 (0.41) KDM4COPRM1OPRL1OPRK1MEN1
SCHEMBL734392 0.68 OPRL1 (0.41) OPRM1OPRL1
SCHEMBL13805830 0.68 OPRM1 (0.71) OPRM1OPRL1OGFRL1OPRK1OPRD1
SCHEMBL23703927 0.64 KDM4C (0.51) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL3402393 0.64 OPRL1 (0.39) OPRM1OPRL1
SCHEMBL30416895 0.63 MEN1 (0.53) KDM4COPRM1OPRK1OPRD1MEN1
SCHEMBL3409679 0.63 OPRL1 (0.39) OPRM1OPRL1
SCHEMBL15508060 0.63 MEN1 (0.49) MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 KDM4C 2920/4885OPRM1 1029/4885OPRL1 1562/4885

“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.