SCHEMBL4857906

SCHEMBL4857906

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.65
OPRM1 P35372 6/20 0.65
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MTNR1A P48039 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
HTR1A P08908 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ACHE P22303 1/20 0.47
MC4R P32245 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
SCHEMBL4860327 0.87 OPRL1 (0.63) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL4857749 0.84 OPRL1 (0.55) OPRL1OPRM1
SCHEMBL2379029 0.83 OPRL1 (0.67) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL4849208 0.83 OPRL1 (0.73) OPRL1OPRM1MEN1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL302553 0.82 OPRL1 (0.68) OPRL1OPRM1MEN1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL4853571 0.82 OPRL1 (0.74) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL4855428 0.82 OPRL1 (0.66) OPRL1OPRM1MEN1KMT2AMTNR1A
Hydrochloric Acid SCHEMBL4852102 0.81 OPRL1 (0.67) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL4857162 0.81 OPRL1 (0.64) OPRL1OPRM1MEN1KMT2AMTNR1A
SCHEMBL5343485 0.79 OPRL1 (0.74) OPRL1OPRM1MEN1KMT2AHTR1A

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 2/4885MEN1 4861/4885

“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.