SCHEMBL787555

SCHEMBL787555

Cc1cccc(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)C23CC(CN2)C3)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.64
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.45

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
SCHEMBL786814 0.90 SLC6A9 (0.51) SLC6A9CTSSCTSK
SCHEMBL787420 0.90 SLC6A9 (0.51) SLC6A9CTSSCTSK
SCHEMBL786813 0.90 SLC6A9 (0.60) SLC6A9CTSSCTSK
Hydrochloric Acid SCHEMBL786873 0.89 SLC6A9 (0.59) SLC6A9CTSSCTSK
SCHEMBL787372 0.89 SLC6A9 (0.65) SLC6A9CTSSCTSK
SCHEMBL787157 0.88 SLC6A9 (0.55) SLC6A9
SCHEMBL786951 0.86 SLC6A9 (0.49) SLC6A9CTSSCTSK
SCHEMBL787251 0.86 SLC6A9 (0.52) SLC6A9CTSSCTSK
SCHEMBL787400 0.85 SLC6A9 (0.51) SLC6A9CTSSCTSK
SCHEMBL786934 0.82 SLC6A9 (0.64) SLC6A9CTSS

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-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 claimed
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

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 3512/4885CTSS 2634/4885CTSK 3690/4885

“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.