SCHEMBL4858591

SCHEMBL4858591

CCCNC(=S)NC1CCC(c2ccccc2)(N(C)C)CC1.c1cc2ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.53
OPRM1 P35372 12/20 0.53
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.41

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 SCHEMBL4858710 0.88 OPRM1 (0.50) OPRL1OPRM1KMT2AMEN1MAPT
SCHEMBL4858581 0.83 OPRM1 (0.76) OPRL1OPRM1KMT2AMEN1MAPT
SCHEMBL5164651 0.77 OPRL1 (0.72) OPRL1OPRM1
SCHEMBL4857895 0.76 OPRL1 (0.73) OPRL1OPRM1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL5168109 0.76 OPRL1 (0.75) OPRL1OPRM1
SCHEMBL4849167 0.75 OPRL1 (0.68) OPRL1OPRM1KMT2AMEN1MAPT
Citric Acid SCHEMBL4861869 0.74 OPRM1 (0.68) OPRL1OPRM1KMT2AMEN1MAPT
SCHEMBL206791 0.72 OPRM1 (0.62) OPRL1OPRM1
SCHEMBL4850386 0.70 OPRL1 (0.74) OPRL1OPRM1
Hydrochloric Acid SCHEMBL4850777 0.69 OPRL1 (0.77) OPRL1OPRM1

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 2/4885KMT2A 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.