SCHEMBL4850386

SCHEMBL4850386

CN(C)C1(c2ccccc2)CCC(NC(=O)CN)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.74
OPRM1 P35372 19/20 0.74
OPRK1 P41145 1/20 0.47

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
Hydrochloric Acid SCHEMBL4850777 0.99 OPRL1 (0.77) OPRL1OPRM1OPRK1
SCHEMBL4850378 0.82 OPRL1 (0.64) OPRL1OPRM1OPRK1
SCHEMBL2974572 0.82 OPRM1 (0.64) OPRL1OPRM1
Hydrochloric Acid SCHEMBL4850770 0.81 OPRL1 (0.67) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2976610 0.81 OPRM1 (0.66) OPRL1OPRM1
SCHEMBL2979074 0.79 OPRL1 (0.64) OPRL1OPRM1
SCHEMBL206791 0.78 OPRM1 (0.62) OPRL1OPRM1
SCHEMBL4854782 0.78 OPRL1 (0.61) OPRL1OPRM1
SCHEMBL4047610 0.78 OPRL1 (0.62) OPRL1OPRM1
SCHEMBL2780031 0.77 OPRL1 (0.65) OPRL1OPRM1

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-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP disclosed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 US disclosed
EP-1560809-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 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-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures OPRL1, OPRM1, OGFRL1 OPRL1 1/4885OPRM1 2/4885OPRK1 5/4885

“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.