SCHEMBL10064526

SCHEMBL10064526

CNc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc34)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.61
AVPR1A P37288 2/20 0.59
GFER P55789 1/20 0.50
HTT P42858 1/20 0.50
MAPK14 Q16539 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
BRD4 O60885 1/20 0.47
POLB P06746 1/20 0.47
CREBBP Q92793 1/20 0.47
CCR5 P51681 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HSD11B1 P28845 1/20 0.45
CHRM2 P08172 1/20 0.45
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL6871088 0.79 TPSAB1 (0.70) TPSAB1GFERPOLBHDAC1HDAC6
SCHEMBL29336051 0.79 GFER (0.60) TPSAB1AVPR1AGFERHTTMAPK14
SCHEMBL7804291 0.79 TPSAB1 (0.63) TPSAB1AVPR1AGFERHTTMAPK14
SCHEMBL8708978 0.77 GFER (0.67) TPSAB1AVPR1AGFERHTTMAPK14
SCHEMBL8712281 0.77 GFER (0.64) TPSAB1AVPR1AGFERHTTMAPK14
Trifluoroacetic Acid SCHEMBL4410347 0.76 TPSAB1 (1.00) TPSAB1
SCHEMBL615518 0.75 AVPR1A (0.85) TPSAB1AVPR1AHSD11B1
SCHEMBL7811711 0.75 TPSAB1 (0.54) TPSAB1AVPR1AGFERHTTMAPK14
SCHEMBL8710647 0.75 GFER (0.61) TPSAB1AVPR1AGFERHTTMAPK14
SCHEMBL8713088 0.74 GFER (0.57) TPSAB1AVPR1AGFERHTTMAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497379-B2 Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride SANOFI (FR) 2013-07-30 US disclosed
US-20120283445-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI (FR) 2012-11-08 US disclosed
US-8217178-B2 [4-(5-aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-[7-flouro-1-(2-methoxy-ethyl)-4-trifluorom as an inhibitor of mast cell tryptase SANOFI (FR) 2012-07-10 US disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 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 (2 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-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES CMA1, TPSB2, TPSAB1 TPSAB1 3/4885AVPR1A 1157/4885GFER 4457/4885
US-20120283445-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE CMA1, TPSAB1, TPSB2 TPSAB1 2/4885AVPR1A 3420/4885GFER 4348/4885

“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.