SCHEMBL381012

SCHEMBL381012

N#CC12CC(CN1Cc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.38
FUCA1 P04066 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1904970 0.84 OPRM1 (0.42) OPRM1OPRK1CHRM2CHRM4CHRM5
SCHEMBL26906995 0.72 PDCD1 (0.44) OPRK1FUCA1CHRM2CHRM4CHRM5
SCHEMBL381169 0.70 BCHE (0.40) OPRK1FUCA1CHRM2CHRM4CHRM5
SCHEMBL632860 0.69 OPRM1 (0.45) OPRM1OPRK1CHRM2CHRM4CHRM5
SCHEMBL381170 0.68 OPRK1 (0.35) OPRM1OPRK1FUCA1CHRM2CHRM4
SCHEMBL381168 0.68 SLC6A9 (0.40) OPRK1FUCA1CHRM2CHRM4CHRM5
SCHEMBL21244824 0.67 SIGMAR1 (0.38) OPRM1SIGMAR1
SCHEMBL9179426 0.66 OPRM1 (0.46) OPRM1FUCA1SIGMAR1
SCHEMBL20799617 0.66 OPRM1 (0.46) OPRM1FUCA1SIGMAR1
SCHEMBL20799609 0.66 FUCA1 (0.49) OPRM1FUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 US disclosed
US-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 US disclosed
EP-2408763-A2 DERIVATIVES OF N-Ý(2-AZA-BICYCLOÝ2.1.1¨HEX-1-YL)-ARYL-METHYL¨-HETEROBENZAMIDE, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI (FR) 2012-01-25 EP disclosed
EP-2396334-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL]-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-21 EP disclosed
WO-2010106269-A2 DERIVATIVES OF N-[(2-AZA-BICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-HETEROBENZAMIDE, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-09-23 WO disclosed
WO-2010106269-A2 DERIVATIVES OF N-[(2-AZA-BICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-HETEROBENZAMIDE, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-09-23 WO disclosed
WO-2010092286-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL]-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 WO disclosed
WO-2010092286-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL]-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 WO 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-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, NT5C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 OPRM1 147/4885OPRK1 299/4885FUCA1 4164/4885

“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.