SCHEMBL381168

SCHEMBL381168

NC(c1ccccc1)C12CC(CN1Cc1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
TACR1 P25103 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
FUCA1 P04066 2/20 0.34

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
SCHEMBL380306 0.80 OPRD1 (0.39) SLC6A9OPRK1
SCHEMBL632289 0.73 SLC6A9 (0.38) SLC6A9OPRK1
SCHEMBL381012 0.68 OPRM1 (0.41) CHRM2CHRM4CHRM5SIGMAR1OPRK1
SCHEMBL3706694 0.67 OPRD1 (0.38) SLC6A9OPRK1
SCHEMBL4184268 0.67 OPRD1 (0.38) SLC6A9OPRK1
SCHEMBL381169 0.67 BCHE (0.40) CHRM2CHRM4CHRM5OPRK1ALDH1A1
Hydrochloric Acid SCHEMBL4184756 0.66 OPRD1 (0.37) SLC6A9SIGMAR1OPRK1
SCHEMBL381170 0.65 OPRK1 (0.35) CHRM2CHRM4CHRM5SIGMAR1OPRK1
SCHEMBL21848108 0.64 FUCA1 (0.50) TACR1SIGMAR1FUCA1
SCHEMBL4186582 0.64 SLC6A9 (0.51) SLC6A9

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 5 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
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-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 SLC6A9 3512/4885TACR1 37/4885CHRM2 26/4885

“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.