SCHEMBL4857749

SCHEMBL4857749

CC(Cc1c[nH]c2ccccc12)NC(=O)N(S)C1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.55
OPRM1 P35372 6/20 0.55
ACE P12821 4/20 0.47
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
ECE1 P42892 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
APAF1 O14727 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL4859552 0.88 OPRL1 (0.53) OPRL1OPRM1ACEITGB2ICAM1
SCHEMBL2380008 0.84 OPRL1 (0.56) OPRL1OPRM1ACEITGB2ICAM1
SCHEMBL4850405 0.84 OPRL1 (0.62) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL4857906 0.84 OPRL1 (0.65) OPRL1OPRM1
Hydrochloric Acid SCHEMBL2379180 0.83 OPRL1 (0.56) OPRL1OPRM1ACEITGB2ICAM1
Hydrochloric Acid SCHEMBL4850692 0.83 OPRL1 (0.61) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL4849177 0.82 OPRL1 (0.55) OPRL1OPRM1KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4850708 0.81 OPRL1 (0.54) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL4857747 0.80 OPRL1 (0.62) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL5164684 0.80 OPRL1 (0.70) OPRL1OPRM1KDM4EAPAF1POLB

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 2/4885ACE 3196/4885

“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.