SCHEMBL4860232

SCHEMBL4860232

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.66
OPRM1 P35372 6/20 0.66
MAPT P10636 8/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX12 P18054 5/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 3/20 0.48
IDO1 P14902 1/20 0.48
HTT P42858 2/20 0.47

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
SCHEMBL5237828 0.94 OPRL1 (0.61) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4855464 0.93 OPRL1 (0.66) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL4854811 0.92 OPRL1 (0.67) OPRL1OPRM1MAPTMAPK1MEN1
Citric Acid SCHEMBL4858328 0.90 OPRL1 (0.55) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4855428 0.89 OPRL1 (0.66) OPRL1OPRM1MAPTMEN1KMT2A
SCHEMBL5343485 0.88 OPRL1 (0.74) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL4852102 0.88 OPRL1 (0.67) OPRL1OPRM1MAPTMEN1KMT2A
SCHEMBL4857895 0.88 OPRL1 (0.73) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL5336823 0.87 OPRL1 (0.74) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4852054 0.84 OPRL1 (0.55) OPRL1OPRM1MAPTMAPK1MEN1

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
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
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 69/4885MAPT 956/4885
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 2/4885MAPT 1220/4885

“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.