SCHEMBL5226449

SCHEMBL5226449

CCCOc1sc(C(=O)N2CCC(c3cc(CNC(=O)OC(C)(C)C)ccc3F)CC2)c(C)c1Br

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
KCNH2 Q12809 3/20 0.54
TPSAB1 Q15661 3/20 0.36
TP53 P04637 7/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL4975268 0.90 CYP3A4 (0.59) CYP3A4CYP2D6KCNH2TPSAB1TP53
SCHEMBL10358989 0.87 CYP3A4 (0.66) CYP3A4CYP2D6KCNH2TPSAB1TP53
SCHEMBL4657248 0.85 CYP3A4 (0.77) CYP3A4CYP2D6KCNH2TPSAB1TP53
Hydrochloric Acid SCHEMBL4722167 0.84 CYP3A4 (0.75) CYP3A4CYP2D6KCNH2TPSAB1TP53
SCHEMBL12516801 0.76 CYP3A4 (0.57) CYP3A4CYP2D6KCNH2ALDH1A1GAA
SCHEMBL52448 0.75 GRM2 (0.44) GAA
SCHEMBL18652766 0.74 CYP3A4 (0.60) CYP3A4CYP2D6KCNH2TPSAB1TP53
SCHEMBL18652767 0.73 CYP3A4 (0.61) CYP3A4CYP2D6KCNH2TPSAB1TP53
Hydrochloric Acid SCHEMBL2222439 0.72 CYP3A4 (0.98) CYP3A4CYP2D6KCNH2TPSAB1CYP2C9
SCHEMBL12516679 0.72 CYP3A4 (0.72) CYP3A4CYP2D6KCNH2TPSAB1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483243-B1 SYNTHESIS OF (4-FLUORO-3-PIPERIDIN-4-YL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER AND INTERMEDIATES THEREOF SANOFI AVENTIS US LLC (US) 2015-03-18 EP disclosed
US-8633321-B2 Synthesis of (4-fluoro-3-piperidin-4-yl-benzyl)-carbamic acid tert-butyl ester and intermediates thereof SANOFI-AVENTIS U.S. LLC (US) 2014-01-21 US disclosed
US-20120184745-A1 SYNTHESIS OF (4-FLUORO-3-PIPERIDIN-4-YL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER AND INTERMEDIATES THEREOF SANOFI-AVENTIS U.S. LLC (US) 2012-07-19 US disclosed
WO-2011037947-A1 SYNTHESIS OF (4-FLUORO-3-PIPERIDIN-4-YL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER AND INTERMEDIATES THEREOF SANOFI-AVENTIS U.S. LLC (US) 2011-03-31 WO disclosed
US-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1737848-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE Aventis Pharmaceuticals Inc. (US) 2007-01-03 EP disclosed
WO-2005097780-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
WO-2005097780-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(4-BROMO-3-METHYL-5-PROPOXY-THIOPHEN-2-YL)-METHANONE HYDROCHLORIDE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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 (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-20070142435-A1 [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-(4-bromo-3-methyl-5-propoxy-thiophen-2-yl)-methanone hydrochloride as an inhibitor of mast cell tryptase CMA1, TPSAB1, TPSB2 CYP3A4 298/4885CYP2D6 59/4885KCNH2 677/4885
US-20120184745-A1 SYNTHESIS OF (4-FLUORO-3-PIPERIDIN-4-YL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER AND INTERMEDIATES THEREOF TBC1D5, TBC1D15, TERT CYP3A4 56/4885CYP2D6 227/4885KCNH2 585/4885

“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.