SCHEMBL4857747

SCHEMBL4857747

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.62
OPRM1 P35372 10/20 0.62
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
APAF1 O14727 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
Citric Acid SCHEMBL4864668 0.91 OPRL1 (0.51) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4850405 0.89 OPRL1 (0.62) OPRL1OPRM1MAPTMAPK1POLB
Hydrochloric Acid SCHEMBL4850692 0.88 OPRL1 (0.61) OPRL1OPRM1MAPTMAPK1POLB
SCHEMBL4852054 0.87 OPRL1 (0.55) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL5164684 0.85 OPRL1 (0.70) OPRL1OPRM1MAPTPOLBKDM4E
SCHEMBL12918432 0.85 OPRL1 (0.70) OPRL1OPRM1MAPTPOLBKDM4E
Hydrochloric Acid SCHEMBL5164066 0.84 OPRL1 (0.69) OPRL1OPRM1MAPTPOLBKDM4E
SCHEMBL2380008 0.83 OPRL1 (0.56) OPRL1OPRM1MAPTMAPK1POLB
SCHEMBL4857895 0.83 OPRL1 (0.73) OPRL1OPRM1MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL2379180 0.83 OPRL1 (0.56) OPRL1OPRM1MAPTMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 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

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 2/4885MAPT 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.