SCHEMBL4854835

SCHEMBL4854835

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 1.00
OPRL1 P41146 10/20 1.00
EPHX1 P07099 3/20 0.65
EPHX2 P34913 8/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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 SCHEMBL4855916 0.99 OPRM1 (1.00) OPRM1OPRL1EPHX1EPHX2NPC1
SCHEMBL4858581 0.86 OPRM1 (0.76) OPRM1OPRL1EPHX1NPC1RAB9A
SCHEMBL4849182 0.85 OPRM1 (0.74) OPRM1OPRL1EPHX1EPHX2
Hydrochloric Acid SCHEMBL4852374 0.84 OPRM1 (0.75) OPRM1OPRL1EPHX1EPHX2
SCHEMBL2379652 0.82 OPRM1 (0.69) OPRM1OPRL1EPHX2
Citric Acid SCHEMBL4861869 0.81 OPRM1 (0.68) OPRM1OPRL1EPHX1NPC1RAB9A
Hydrochloric Acid SCHEMBL302167 0.81 OPRM1 (0.70) OPRM1OPRL1EPHX2
SCHEMBL4861071 0.80 OPRM1 (0.67) OPRM1OPRL1EPHX1EPHX2
SCHEMBL4955112 0.79 EPHX1 (1.00) OPRM1OPRL1EPHX1EPHX2NPC1
SCHEMBL22316228 0.79 EPHX1 (0.73) OPRM1OPRL1EPHX1EPHX2NPC1

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 3 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-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 OPRM1 2/4885OPRL1 1/4885EPHX1 1172/4885

“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.