SCHEMBL787430

SCHEMBL787430

Nc1cc(Cl)c(Br)cc1C(=O)NC(c1ccccc1)C12CC(CN1)C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.55
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL786978 0.77 SLC6A9 (0.55) SLC6A9MAPTMEN1KMT2A
SCHEMBL787020 0.77 SLC6A9 (0.58) SLC6A9ALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL787493 0.76 SLC6A9 (0.54) SLC6A9MAPTMEN1KMT2A
SCHEMBL787450 0.76 SLC6A9 (0.74) SLC6A9
SCHEMBL786908 0.75 SLC6A9 (0.51) SLC6A9CYP3A4CYP2D6CYP2C9
SCHEMBL787017 0.75 SLC6A9 (0.46) SLC6A9
SCHEMBL787486 0.74 SLC6A9 (0.65) SLC6A9ALDH1A1KDM4E
SCHEMBL786813 0.73 SLC6A9 (0.60) SLC6A9
Hydrochloric Acid SCHEMBL786873 0.72 SLC6A9 (0.59) SLC6A9
SCHEMBL787472 0.71 SLC6A9 (1.00) SLC6A9L3MBTL1

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 1 patent. 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

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 3512/4885ALDH1A1 2365/4885CYP1A2 410/4885

“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.