SCHEMBL4849043

SCHEMBL4849043

CN(C)C1(c2ccccc2)CCC(CN(OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)NCCc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.56
OPRM1 P35372 5/20 0.56
NOTUM Q6P988 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SPR P35270 1/20 0.41
SNCA P37840 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.37
HTR1A P08908 2/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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 0.86 OPRL1 (0.51) OPRL1OPRM1MTNR1AMAPTACHE
Citric Acid SCHEMBL4849030 0.86 OPRL1 (0.60) OPRL1OPRM1NOTUMMTNR1AMTNR1B
SCHEMBL4856663 0.82 OPRL1 (0.50) OPRL1OPRM1MTNR1AMAPTACHE
SCHEMBL4858626 0.79 OPRL1 (0.51) OPRL1OPRM1MTNR1AMAPTACHE
SCHEMBL4851081 0.78 OPRL1 (0.69) OPRL1OPRM1NOTUMMTNR1AMTNR1B
SCHEMBL4849174 0.77 OPRL1 (0.43) OPRL1OPRM1MAPT
Citric Acid SCHEMBL4856647 0.77 OPRL1 (0.56) OPRL1OPRM1MTNR1AMAPTACHE
Citric Acid SCHEMBL4858328 0.76 OPRL1 (0.55) OPRL1OPRM1MTNR1AMAPTHTR1A
SCHEMBL4850795 0.76 OPRL1 (0.76) OPRL1OPRM1NOTUMMTNR1AMTNR1B
SCHEMBL4851156 0.75 OPRL1 (0.49) OPRL1OPRM1MTNR1AMAPTACHE

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 9 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-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US 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-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US claimed
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 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
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 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 (2 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-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT OPRL1 378/4885OPRM1 69/4885NOTUM 1984/4885
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 2/4885NOTUM 892/4885

“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.