SCHEMBL787486

SCHEMBL787486

CCc1ccccc1C(=O)NC(c1ccccc1)C12CC(CN1)C2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 11/20 0.65
UTS2R Q9UKP6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
KCNA5 P22460 2/20 0.37
F2R P25116 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
SCHEMBL787450 0.81 SLC6A9 (0.74) SLC6A9
SCHEMBL787472 0.79 SLC6A9 (1.00) SLC6A9
SCHEMBL382359 0.79 SLC6A9 (0.61) SLC6A9HPGD
SCHEMBL786934 0.79 SLC6A9 (0.64) SLC6A9
SCHEMBL786813 0.77 SLC6A9 (0.60) SLC6A9
SCHEMBL786974 0.77 SLC6A9 (0.51) SLC6A9ALDH1A1LMNAHPGDTSHR
SCHEMBL787020 0.76 SLC6A9 (0.58) SLC6A9ALDH1A1KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL786873 0.76 SLC6A9 (0.59) SLC6A9
SCHEMBL786968 0.76 SLC6A9 (0.70) SLC6A9UTS2R
SCHEMBL787430 0.74 SLC6A9 (0.55) SLC6A9ALDH1A1KDM4E

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 3512/4885UTS2R 995/4885ALDH1A1 2365/4885

“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.