SCHEMBL4849182

SCHEMBL4849182

CN(C)C1(c2ccccc2)CCC(CNC(=O)NCCCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.74
OPRL1 P41146 10/20 0.74
EPHX2 P34913 6/20 0.52
EPHX1 P07099 4/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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 SCHEMBL4852374 0.99 OPRM1 (0.75) OPRM1OPRL1EPHX2EPHX1
SCHEMBL21766368 0.87 OPRL1 (0.54) OPRM1OPRL1
SCHEMBL2379652 0.85 OPRM1 (0.69) OPRM1OPRL1EPHX2POLB
SCHEMBL4854835 0.85 OPRM1 (1.00) OPRM1OPRL1EPHX2EPHX1
SCHEMBL21766632 0.85 OPRL1 (0.56) OPRM1OPRL1EPHX1
Hydrochloric Acid SCHEMBL302167 0.84 OPRM1 (0.70) OPRM1OPRL1EPHX2POLB
Hydrochloric Acid SCHEMBL4855916 0.84 OPRM1 (1.00) OPRM1OPRL1EPHX2EPHX1
SCHEMBL25678122 0.83 OPRL1 (0.60) OPRM1OPRL1
SCHEMBL2380132 0.82 OPRM1 (0.65) OPRM1OPRL1EPHX2EPHX1
Hydrochloric Acid SCHEMBL301795 0.81 OPRM1 (0.66) OPRM1OPRL1EPHX2EPHX1

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-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
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US 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
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 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 (2 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-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT OPRM1 69/4885OPRL1 378/4885EPHX2 2282/4885
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 OPRM1 2/4885OPRL1 1/4885EPHX2 1875/4885

“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.