SCHEMBL6871088

SCHEMBL6871088

CNc1cccc(C2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 13/20 0.70
HCRTR1 O43613 1/20 0.49
POLB P06746 1/20 0.49
GFER P55789 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL6871737 0.86 TPSAB1 (0.54) TPSAB1GFER
SCHEMBL4414708 0.82 TPSAB1 (1.00) TPSAB1
SCHEMBL10064526 0.79 TPSAB1 (0.61) TPSAB1POLBGFERHDAC6HDAC1
SCHEMBL16003045 0.79 TPSAB1 (0.57) TPSAB1HCRTR1POLBGFERHDAC6
Trifluoroacetic Acid SCHEMBL1385077 0.77 TPSAB1 (1.00) TPSAB1
SCHEMBL23940212 0.77 TPSAB1 (0.60) TPSAB1HCRTR1POLBGFERHDAC6
SCHEMBL27249754 0.76 TPSAB1 (0.62) TPSAB1HCRTR1POLBGFERHDAC6
SCHEMBL13825988 0.74 GFER (0.57) TPSAB1HCRTR1POLBGFERHDAC6
SCHEMBL27249698 0.74 ALDH1A1 (0.66) TPSAB1HCRTR1POLBGFERHDAC6
SCHEMBL3457429 0.73 ALDH1A1 (0.68) TPSAB1HCRTR1POLBGFERHDAC6

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 7 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
US-20110201647-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-AVENTIS (FR) 2011-08-18 US disclosed
WO-2011022449-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI-AVENTIS (FR) 2011-02-24 WO disclosed
WO-2010022196-A2 [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-AVENTIS (FR) 2010-02-25 WO 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 (3 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 3/4885HCRTR1 2620/4885POLB 3773/4885
US-20110201647-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 2/4885HCRTR1 2506/4885POLB 4046/4885
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 2/4885HCRTR1 2506/4885POLB 4046/4885

“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.