SCHEMBL736247

SCHEMBL736247

Cc1c(C2(O)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 20/20 0.54
OPRM1 P35372 18/20 0.54
OPRK1 P41145 6/20 0.51
OPRD1 P41143 2/20 0.42
OGFRL1 Q5TC84 2/20 0.42

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
SCHEMBL735686 0.81 OPRM1 (0.59) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL735993 0.77 OPRL1 (0.45) OPRL1OPRM1OPRK1
SCHEMBL13805830 0.76 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL735963 0.74 KDM4C (0.37) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL13805914 0.73 OPRM1 (0.71) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL734100 0.72 OPRM1 (0.40) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL3407442 0.71 OPRM1 (1.00) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL3411311 0.70 OPRM1 (0.74) OPRL1OPRM1OPRK1OPRD1OGFRL1
SCHEMBL1119612 0.70 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL1119831 0.70 OPRM1 (0.86) OPRL1OPRM1OPRK1OPRD1OGFRL1

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 OPRL1 1562/4885OPRM1 1029/4885OPRK1 532/4885

“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.