SCHEMBL4858581

SCHEMBL4858581

CN(C)C1(c2ccccc2)CCC(NC(=S)NCCCc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.76
OPRL1 P41146 11/20 0.76
KMT2A Q03164 3/20 0.65
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
ALOX12 P18054 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX1 P07099 1/20 0.46
HTT P42858 1/20 0.46

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 SCHEMBL4861869 0.89 OPRM1 (0.68) OPRM1OPRL1KMT2AMEN1MAPT
SCHEMBL4854835 0.86 OPRM1 (1.00) OPRM1OPRL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4855916 0.85 OPRM1 (1.00) OPRM1OPRL1NPC1RAB9ASMN1; SMN2
SCHEMBL4858591 0.83 OPRL1 (0.53) OPRM1OPRL1KMT2AMEN1MAPT
SCHEMBL4849167 0.82 OPRL1 (0.68) OPRM1OPRL1KMT2AMEN1MAPT
SCHEMBL4857895 0.77 OPRL1 (0.73) OPRM1OPRL1KMT2AMEN1MAPT
SCHEMBL2379652 0.77 OPRM1 (0.69) OPRM1OPRL1KMT2AMEN1
SCHEMBL4849182 0.76 OPRM1 (0.74) OPRM1OPRL1EPHX1
Hydrochloric Acid SCHEMBL302167 0.76 OPRM1 (0.70) OPRM1OPRL1
SCHEMBL4861071 0.76 OPRM1 (0.67) OPRM1OPRL1EPHX1

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 OPRM1 2/4885OPRL1 1/4885KMT2A 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.