SCHEMBL4856560

SCHEMBL4856560

CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.62
OPRM1 P35372 9/20 0.62
NPY5R Q15761 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KRAS P01116 1/20 0.42
SOS1 Q07889 1/20 0.42

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 SCHEMBL4850710 0.99 OPRL1 (0.61) OPRL1OPRM1NPY5RSIGMAR1MMP2
SCHEMBL4852338 0.90 OPRL1 (0.58) OPRL1OPRM1NPY5RSIGMAR1MMP2
SCHEMBL5165880 0.90 OPRL1 (0.73) OPRL1OPRM1NPY5RSIGMAR1HPGD
Hydrochloric Acid SCHEMBL5167184 0.89 OPRL1 (0.72) OPRL1OPRM1NPY5RSIGMAR1HPGD
SCHEMBL4850405 0.82 OPRL1 (0.62) OPRL1OPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL4850692 0.81 OPRL1 (0.61) OPRL1OPRM1MMP2MMP9MMP8
SCHEMBL5340673 0.79 OPRL1 (0.63) OPRL1OPRM1NPY5RSIGMAR1HTT
SCHEMBL5165672 0.79 SIGMAR1 (0.65) OPRL1OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL5336638 0.79 OPRL1 (0.62) OPRL1OPRM1NPY5RSIGMAR1HTT
Hydrochloric Acid SCHEMBL5165735 0.79 SIGMAR1 (0.64) OPRL1OPRM1SIGMAR1

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 4 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-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-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 2/4885NPY5R 273/4885

“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.