SCHEMBL786974

SCHEMBL786974

CCS(=O)(=O)c1cc(C(=O)NC(c2ccccc2)C23CC(CN2)C3)c(OC)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
SCN9A Q15858 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RCE1 Q9Y256 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KCNA5 P22460 1/20 0.34
PDE10A Q9Y233 1/20 0.34
LMNA P02545 2/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 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
SCHEMBL787486 0.77 SLC6A9 (0.65) SLC6A9ALDH1A1HPGDKCNA5LMNA
SCHEMBL787450 0.74 SLC6A9 (0.74) SLC6A9
SCHEMBL787020 0.73 SLC6A9 (0.58) SLC6A9SMN1; SMN2ALDH1A1HPGDP2RX7
SCHEMBL787430 0.71 SLC6A9 (0.55) SLC6A9ALDH1A1P2RX7MEN1KMT2A
SCHEMBL786978 0.71 SLC6A9 (0.55) SLC6A9MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL787493 0.70 SLC6A9 (0.54) SLC6A9MEN1KMT2AMAPT
SCHEMBL786813 0.70 SLC6A9 (0.60) SLC6A9
Hydrochloric Acid SCHEMBL786873 0.69 SLC6A9 (0.59) SLC6A9
SCHEMBL787372 0.68 SLC6A9 (0.65) SLC6A9
SCHEMBL787472 0.68 SLC6A9 (1.00) 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 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 3512/4885SMN1; SMN2 1677/4885ALDH1A1 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.