SCHEMBL735257

SCHEMBL735257

CN(C)C1(c2cccc(F)c2)CC=C(c2[nH]c3ccccc3c2CCc2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
OGFRL1 Q5TC84 2/20 0.43
OPRL1 P41146 5/20 0.42
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL734725 0.90 OPRM1 (0.41) OPRM1OGFRL1OPRL1HTR2AHTR2C
SCHEMBL734569 0.83 HTR2A (0.38) OPRM1OPRL1DRD2HTR2AHTR2C
SCHEMBL735507 0.80 OPRM1 (0.57) OPRM1OGFRL1OPRL1DRD2HTR2A
SCHEMBL733179 0.79 OPRM1 (0.45) OPRM1OGFRL1OPRL1DRD2HTR2A
SCHEMBL733852 0.77 OPRM1 (0.41) OPRM1OGFRL1HTR2AHTR2C
SCHEMBL734247 0.77 OPRM1 (0.38) OPRM1OGFRL1DRD2HTR2AHTR2C
SCHEMBL735024 0.77 OPRM1 (0.41) OPRM1OGFRL1OPRL1DRD2HTR2A
SCHEMBL735512 0.76 OPRM1 (0.44) OPRM1OGFRL1OPRL1DRD2HTR2A
SCHEMBL734726 0.76 OPRM1 (0.48) OPRM1OGFRL1OPRL1
SCHEMBL733673 0.76 FNTA (0.36) OPRM1OPRL1DRD2HTR2AHTR2C

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 6 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 claimed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US claimed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US claimed
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 1029/4885OGFRL1 4373/4885OPRL1 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.