SCHEMBL4856663

SCHEMBL4856663

CN(C)C1(c2ccccc2)CCC(CCN(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=S)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.50
OPRM1 P35372 5/20 0.50
MTNR1A P48039 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR1A P08908 1/20 0.39
BCHE P06276 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.37

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 0.94 OPRL1 (0.51) OPRL1OPRM1MTNR1AMAPTMAPK1
SCHEMBL4858626 0.89 OPRL1 (0.51) OPRL1OPRM1MTNR1AMAPTMAPK1
Citric Acid SCHEMBL4856647 0.87 OPRL1 (0.56) OPRL1OPRM1MTNR1AMAPTMAPK1
SCHEMBL4851156 0.85 OPRL1 (0.49) OPRL1OPRM1MTNR1AMAPTMAPK1
Citric Acid SCHEMBL4858328 0.85 OPRL1 (0.55) OPRL1OPRM1MTNR1AMAPTMAPK1
Citric Acid SCHEMBL4858613 0.82 OPRL1 (0.60) OPRL1OPRM1MTNR1AMAPTMAPK1
SCHEMBL4849043 0.82 OPRL1 (0.56) OPRL1OPRM1MTNR1AMAPTHTR1A
SCHEMBL4849174 0.81 OPRL1 (0.43) OPRL1OPRM1MAPTMAPK1POLB
Citric Acid SCHEMBL4851146 0.79 OPRL1 (0.57) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4857162 0.78 OPRL1 (0.64) OPRL1OPRM1MTNR1AMAPTHTR1A

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 2/4885MTNR1A 283/4885

“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.