SCHEMBL734910

SCHEMBL734910

CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCNS(=O)(=O)C2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
OPRM1 P35372 5/20 0.37
OPRL1 P41146 4/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
BRD4 O60885 2/20 0.36
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL734684 0.86 GFER (0.46) ALOX5
SCHEMBL735187 0.82 CYP2D6 (0.37) ALOX5
SCHEMBL734401 0.82 OPRM1 (0.50) MCL1OPRM1OPRL1MTNR1AMTNR1B
SCHEMBL735938 0.81 OPRM1 (0.43) MCL1OPRM1OPRL1OGFRL1BRD4
SCHEMBL733625 0.81 MTNR1A (0.48) OPRM1OPRL1MTNR1AMTNR1B
SCHEMBL735512 0.80 OPRM1 (0.44) OPRM1OPRL1OGFRL1
SCHEMBL14110510 0.79 OPRM1 (0.41) MCL1OPRM1OPRL1OGFRL1
SCHEMBL734437 0.79 OPRM1 (0.44) OPRM1OPRL1OGFRL1
SCHEMBL734734 0.79 ALDH1A1 (0.43) OPRM1OPRL1OGFRL1
Hydrochloric Acid SCHEMBL735356 0.78 OPRM1 (0.40) MCL1OPRM1OPRL1OGFRL1LMNA

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 MCL1 1271/4885OPRM1 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.