SCHEMBL4854782

SCHEMBL4854782

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.61
OPRM1 P35372 14/20 0.61
ALDH1A1 P00352 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
KCNA3 P22001 1/20 0.42

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
SCHEMBL15127553 0.81 OPRL1 (0.51) OPRL1OPRM1
SCHEMBL4867950 0.78 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL4850386 0.78 OPRL1 (0.74) OPRL1OPRM1
SCHEMBL2002673 0.77 EPHX1 (0.55) ALDH1A1KDM1AMAOB
Hydrochloric Acid SCHEMBL4850777 0.77 OPRL1 (0.77) OPRL1OPRM1
SCHEMBL18263493 0.76 EPHX2 (0.52) ALDH1A1NPFFR1NPFFR2
SCHEMBL4711346 0.75 KDM1A (0.47) OPRL1OPRM1KDM1AMAOBKCNA3
SCHEMBL4711344 0.75 KDM1A (0.47) OPRL1OPRM1KDM1AMAOBKCNA3
SCHEMBL4730142 0.75 SIGMAR1 (0.62) NPFFR1NPFFR2
SCHEMBL2780031 0.74 OPRL1 (0.65) OPRL1OPRM1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 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

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 2/4885ALDH1A1 718/4885

“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.