SCHEMBL374650

SCHEMBL374650

NC(c1ccccc1)C12CCCC(CN1)C2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.38
CYP2D6 P10635 1/20 0.33
IDO1 P14902 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL382151 0.84 SLC6A9 (0.46) SLC6A9IDO1
SCHEMBL631785 0.68 SLC6A9 (0.46) SLC6A9IDO1
SCHEMBL374765 0.66 SLC6A9 (0.34) SLC6A9CYP2D6
SCHEMBL3237792 0.63 DPP4 (0.41)
SCHEMBL29244326 0.62 EPHX1 (0.45)
SCHEMBL4186582 0.61 SLC6A9 (0.51) SLC6A9CYP2D6
SCHEMBL3708922 0.61 SLC6A9 (0.51) SLC6A9CYP2D6
SCHEMBL4184530 0.61 SLC6A9 (0.51) SLC6A9CYP2D6
SCHEMBL17684426 0.60 OPRL1 (0.37) IDO1
SCHEMBL17684422 0.60 OPRL1 (0.37) IDO1

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-20120029027-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-02-02 US disclosed
EP-2408778-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-01-25 EP disclosed
EP-2396335-A1 N-[(6-AZABICYCLO[3.2.1]OCT-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-21 EP disclosed
WO-2010106270-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2010-09-23 WO disclosed
WO-2010092287-A1 N-[(6-AZABICYCLO[3.2.1]OCT-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-20120029027-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, C1S SLC6A9 1683/4885CYP2D6 54/4885IDO1 535/4885

“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.