SCHEMBL4849174

SCHEMBL4849174

CC(Cc1c[nH]c2ccccc12)NC(=S)N(CC1CCC(c2ccccc2)(N(C)C)CC1)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.43
OPRM1 P35372 6/20 0.43
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
NMBR P28336 1/20 0.37
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
EPHA2 P29317 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL4858534 0.88 OPRL1 (0.51) OPRL1OPRM1ALDH1A1MAPK1POLB
Citric Acid SCHEMBL4849178 0.85 OPRL1 (0.46) OPRL1OPRM1KDM4EALDH1A1MAPK1
Citric Acid SCHEMBL4864668 0.84 OPRL1 (0.51) OPRL1OPRM1KDM4EALDH1A1MAPK1
Citric Acid SCHEMBL15794460 0.82 OPRL1 (0.56) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL4856663 0.81 OPRL1 (0.50) OPRL1OPRM1ALDH1A1MAPK1POLB
Citric Acid SCHEMBL4857675 0.79 OPRL1 (0.44) OPRL1OPRM1ALDH1A1NMBRMAPT
SCHEMBL4858626 0.78 OPRL1 (0.51) OPRL1OPRM1ALDH1A1MAPK1POLB
SCHEMBL2380008 0.78 OPRL1 (0.56) OPRL1OPRM1KDM4EALDH1A1MAPK1
SCHEMBL4851156 0.78 OPRL1 (0.49) OPRL1OPRM1MAPK1MAPT
Hydrochloric Acid SCHEMBL2379180 0.77 OPRL1 (0.56) OPRL1OPRM1KDM4EALDH1A1MAPK1

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
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed
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 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 OPRL1 1/4885OPRM1 2/4885KDM4E 4587/4885

“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.