SCHEMBL2050262

SCHEMBL2050262

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 14/20 0.54
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GLA P06280 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 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 SCHEMBL1275572 0.99 TPSAB1 (0.54) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL6871376 0.94 TPSAB1 (0.53) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL6869770 0.93 TPSAB1 (0.56) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9111239 0.93 TPSAB1 (0.56) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL1275578 0.90 TPSAB1 (0.54) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9111063 0.90 TPSAB1 (0.53) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL6869859 0.90 TPSAB1 (0.52) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL1274761 0.89 TPSAB1 (0.52) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL1275893 0.89 TPSAB1 (0.59) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL12695217 0.89 TPSAB1 (0.56) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 EP 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
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 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
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
EP-2538942-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2013-01-02 EP disclosed
CN-102858336-A Treatment of skin allergic symptoms SANOFI SA 2013-01-02 CN 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
EP-2515851-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2012-10-31 EP 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-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 US disclosed
EP-2367812-A2 [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 (FR) 2011-09-28 EP 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
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-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 (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-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES CMA1, TPSB2, TPSAB1 TPSAB1 3/4885KCNH2 495/4885CYP2C9 257/4885
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 2/4885KCNH2 556/4885CYP2C9 274/4885
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 2/4885KCNH2 556/4885CYP2C9 274/4885
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS TSLP, CMA1, TPSG1 TPSAB1 7/4885KCNH2 1450/4885CYP2C9 1490/4885

“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.