SCHEMBL2043935

SCHEMBL2043935

COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2c(OC(F)(F)F)ccc(F)c21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 15/20 0.51
KCNH2 Q12809 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RBP4 P02753 3/20 0.38

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
Hydrochloric Acid SCHEMBL2050747 0.99 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Fumaric Acid SCHEMBL2282789 0.95 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Benzoic Acid SCHEMBL2278083 0.94 TPSAB1 (0.50) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL6871291 0.94 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL1275882 0.94 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL1274752 0.93 TPSAB1 (0.48) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9110215 0.93 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL2280873 0.93 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL1275311 0.93 TPSAB1 (0.43) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL2278797 0.93 TPSAB1 (0.47) TPSAB1KCNH2CYP2C9CYP2C19KDM4E

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2653193-A1 Method for treating macular degeneration SANOFI (FR) 2013-10-23 EP disclosed
CN-102149705-B [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2013-08-07 CN disclosed
CN-102149705-B [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2013-08-07 CN 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-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
CN-102858336-A Treatment of skin allergic symptoms SANOFI SA 2013-01-02 CN 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
CN-102149705-A [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2011-08-10 CN disclosed
CN-102149705-A [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2011-08-10 CN disclosed
WO-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 WO disclosed
WO-2010022196-A3 [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) 2010-07-22 WO disclosed
WO-2010080563-A2 METHOD FOR TREATING MACULAR DEGENERATION SANOFI-AVENTIS (FR) 2010-07-15 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
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
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 (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-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 2/4885KCNH2 556/4885CYP2C9 274/4885

“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.