SCHEMBL4855428

SCHEMBL4855428

CN(C)C1(c2ccccc2)CCC(CNC(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.66
OPRM1 P35372 5/20 0.66
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
MTNR1A P48039 2/20 0.51
HTR1A P08908 1/20 0.50
FAAH O00519 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
AANAT Q16613 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
Hydrochloric Acid SCHEMBL4852102 0.99 OPRL1 (0.67) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL4857162 0.91 OPRL1 (0.64) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL4851081 0.89 OPRL1 (0.69) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL4860232 0.89 OPRL1 (0.66) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL5343485 0.88 OPRL1 (0.74) OPRL1OPRM1MEN1KMT2AHTR1A
SCHEMBL2379029 0.88 OPRL1 (0.67) OPRL1OPRM1MEN1KMT2ALMNA
SCHEMBL4849208 0.88 OPRL1 (0.73) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL5336823 0.87 OPRL1 (0.74) OPRL1OPRM1MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL302553 0.87 OPRL1 (0.68) OPRL1OPRM1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4853571 0.87 OPRL1 (0.74) OPRL1OPRM1MEN1KMT2ALMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 69/4885MEN1 851/4885
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 2/4885MEN1 4861/4885

“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.