SCHEMBL7945771

SCHEMBL7945771

NCc1ccc(F)c(-c2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
LOXL2 Q9Y4K0 5/20 0.47
CYP17A1 P05093 3/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.45
ALOX5 P09917 1/20 0.40
CYP21A2 P08686 1/20 0.40
CSNK2A1 P68400 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK14 Q16539 2/20 0.38
GCGR P47871 1/20 0.38
ROCK1 Q13464 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL12375387 0.82 MAPK14 (0.50) PARP1CYP17A1CYP11B1CYP11B2CYP21A2
SCHEMBL16343572 0.81 CSNK2A1 (0.58) LOXL2CSNK2A1DPP4TAAR1
SCHEMBL27684292 0.81 CYP2C9 (0.39) LOXL2CYP3A4
SCHEMBL16894251 0.79 MAOB (0.53) TAAR1
SCHEMBL10075879 0.79 ABAT (0.52) LOXL2CSNK2A1CYP3A4TAAR1
SCHEMBL2035854 0.78 LOXL2 (0.42) LOXL2CYP17A1CYP11B1ALOX5CYP21A2
SCHEMBL27765849 0.78 MAPK14 (0.54) PARP1LOXL2CYP17A1CYP11B1CYP11B2
SCHEMBL3565878 0.76 LOXL2 (0.48) LOXL2CYP17A1CYP11B1CYP11B2CSNK2A1
SCHEMBL27553899 0.76 LOXL2 (0.37) LOXL2CSNK2A1ROCK1TAAR1
SCHEMBL2650106 0.76 IMPDH2 (0.49) PARP1MAPK14GCGR

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 18 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 claimed
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 claimed
EP-2367812-B1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI SA (FR) 2015-09-16 EP disclosed
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-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-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2012-12-06 US disclosed
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2012-12-06 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-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-20120238603-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2012-09-20 US disclosed
US-20120238603-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2012-09-20 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-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
WO-2011106334-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2011-09-01 WO 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
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-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 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 (4 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-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 PARP1 2455/4885LOXL2 1853/4885CYP17A1 239/4885
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 PARP1 2455/4885LOXL2 1853/4885CYP17A1 239/4885
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS TSLP, CMA1, TPSG1 PARP1 2855/4885LOXL2 438/4885CYP17A1 65/4885
US-20120238603-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SLC10A2, SI, IL17A PARP1 4081/4885LOXL2 2789/4885CYP17A1 122/4885

“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.