SCHEMBL4852136

SCHEMBL4852136

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.51
OPRM1 P35372 3/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HCRTR1 O43613 1/20 0.49
NMBR P28336 1/20 0.49
MAPT P10636 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
FPR2 P25090 2/20 0.45
FPR1 P21462 1/20 0.45
KCNA5 P22460 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL6247580 0.93 OPRL1 (0.52) OPRL1OPRM1KMT2ANMBRMAPT
Citric Acid SCHEMBL4857675 0.93 OPRL1 (0.44) OPRL1OPRM1KMT2AMEN1HCRTR1
SCHEMBL4852054 0.87 OPRL1 (0.55) OPRL1OPRM1KMT2AMEN1NMBR
SCHEMBL2378945 0.86 KMT2A (0.57) OPRL1OPRM1KMT2AMEN1HCRTR1
SCHEMBL2380119 0.86 KMT2A (0.57) OPRL1OPRM1KMT2AMEN1HCRTR1
Hydrochloric Acid SCHEMBL302554 0.86 KMT2A (0.56) OPRL1OPRM1KMT2AMEN1HCRTR1
Hydrochloric Acid SCHEMBL2378939 0.86 KMT2A (0.56) OPRL1OPRM1KMT2AMEN1HCRTR1
Potassium SCHEMBL2378910 0.86 KMT2A (0.56) OPRL1OPRM1KMT2AMEN1HCRTR1
SCHEMBL2378906 0.86 KMT2A (0.56) OPRL1OPRM1KMT2AMEN1HCRTR1
Hydrochloric Acid SCHEMBL5176757 0.84 OPRL1 (0.55) OPRL1OPRM1KMT2AMEN1HCRTR1

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 disclosed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP 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
EP-1562891-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-08-17 EP disclosed
EP-1560809-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed
WO-2004043899-A1 4-AMINOMETHYL-1-ARYL-CYCLOHEXYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO 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 69/4885KMT2A 295/4885
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 2/4885KMT2A 4199/4885

“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.