SCHEMBL4850377

SCHEMBL4850377

CN(C)C1(c2ccccc2)CCC(CCN)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 18/20 0.63
OPRM1 P35372 14/20 0.56
OPRK1 P41145 2/20 0.56

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
SCHEMBL4853376 0.91 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL2782285 0.87 OPRL1 (0.67) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL5338809 0.85 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL4850904 0.84 OPRL1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL4356857 0.83 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL13650541 0.81 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL4118199 0.81 OPRL1 (0.55) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2877571 0.80 OPRL1 (0.56) OPRL1OPRM1OPRK1
SCHEMBL3144048 0.80 OPRL1 (0.62) OPRL1OPRM1OPRK1
SCHEMBL3412608 0.79 OPRL1 (0.53) OPRL1OPRM1OPRK1

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
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.