SCHEMBL4852054

SCHEMBL4852054

CC(Cc1c[nH]c2ccccc12)NC(=S)NCC1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.55
OPRM1 P35372 7/20 0.55
NMBR P28336 3/20 0.44
GRPR P30550 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
APAF1 O14727 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
DPP4 P27487 1/20 0.39
ACE P12821 1/20 0.39
MEN1 O00255 1/20 0.39

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
Citric Acid SCHEMBL4849178 0.91 OPRL1 (0.46) OPRL1OPRM1NMBRGRPRKDM4E
SCHEMBL4849177 0.89 OPRL1 (0.55) OPRL1OPRM1NMBRGRPRKDM4E
SCHEMBL6247580 0.89 OPRL1 (0.52) OPRL1OPRM1NMBRALDH1A1MAPT
Hydrochloric Acid SCHEMBL4850708 0.89 OPRL1 (0.54) OPRL1OPRM1NMBRGRPRKDM4E
SCHEMBL4857747 0.87 OPRL1 (0.62) OPRL1OPRM1KDM4EMAPK1ALDH1A1
SCHEMBL4852136 0.87 OPRL1 (0.51) OPRL1OPRM1NMBRMAPTFPR1
SCHEMBL5341928 0.86 OPRL1 (0.61) OPRL1OPRM1KDM4EMAPTPOLB
SCHEMBL2380008 0.85 OPRL1 (0.56) OPRL1OPRM1KDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5337166 0.85 OPRL1 (0.60) OPRL1OPRM1KDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL2379180 0.85 OPRL1 (0.56) OPRL1OPRM1KDM4EMAPK1ALDH1A1

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 4 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-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
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 2/4885NMBR 462/4885

“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.