SCHEMBL734730

SCHEMBL734730

CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCN2C(=O)CCC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.42
OPRL1 P41146 9/20 0.42
OGFRL1 Q5TC84 5/20 0.38
HTR2A P28223 6/20 0.36
HTR2C P28335 5/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
DRD2 P14416 3/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL734985 0.91 MAPT (0.41) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL733107 0.85 HTR2A (0.55) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735512 0.85 OPRM1 (0.44) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735511 0.85 HTR2A (0.46) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735785 0.85 OPRM1 (0.42) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735588 0.85 HTR2A (0.55) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735786 0.85 OPRM1 (0.42) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL734734 0.84 ALDH1A1 (0.43) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL734860 0.83 HTR2A (0.44) OPRM1OPRL1OGFRL1HTR2AHTR2C
SCHEMBL735878 0.83 KDM4E (0.47) OPRM1OPRL1OGFRL1HTR2AHTR2C

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 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.