SCHEMBL734201

SCHEMBL734201

Cc1c(C2=CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.43
OPRL1 P41146 13/20 0.43
OGFRL1 Q5TC84 8/20 0.39
KIF11 P52732 1/20 0.39
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL734296 0.88 OPRM1 (0.50) OPRM1OPRL1OGFRL1KDM4E
SCHEMBL733086 0.85 OPRM1 (0.45) OPRM1OPRL1OGFRL1KIF11
SCHEMBL734664 0.83 KIF11 (0.37) OPRM1OGFRL1KIF11KDM4ECRHBP
SCHEMBL734169 0.82 OPRM1 (0.57) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL734144 0.80 OPRM1 (0.43) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL734846 0.78 KDM4E (0.33) KIF11KDM4ECRHBPCRHR2
SCHEMBL735507 0.76 OPRM1 (0.57) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL734668 0.76 OPRM1 (0.45) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL733908 0.76 OPRL1 (0.47) OPRM1OPRL1OGFRL1KIF11
SCHEMBL734100 0.73 OPRM1 (0.40) OPRM1OPRL1OGFRL1OPRD1OPRK1

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 3 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

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 OPRM1 1029/4885OPRL1 1562/4885OGFRL1 4373/4885

“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.