SCHEMBL971814

SCHEMBL971814

CC(C)(C)OC(=O)NCc1ccc(F)c(C2=CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
HTR1A P08908 5/20 0.42
DRD2 P14416 5/20 0.42
HTR2A P28223 2/20 0.42
HTT P42858 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 2/20 0.40
HDAC4 P56524 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL303043 0.85 KDM4E (0.50) DRD2NPFFR1NPFFR2KDM4EMEN1
SCHEMBL29995938 0.79 NPFFR1 (0.49) DRD2NPFFR1NPFFR2KMT2ANAMPT
SCHEMBL4405362 0.79 HTR6 (0.38) HTR6CCNT1CDK9NAMPT
SCHEMBL27659007 0.76 OPRM1 (0.48) HTR6HTR1ADRD2HTR2AHTT
SCHEMBL973546 0.76 OPRM1 (0.52) HTR6HTR1ADRD2HTR2AHTT
SCHEMBL4405361 0.76 HTR6 (0.37) HTR6CCNT1CDK9NAMPTEGLN1
SCHEMBL2034984 0.74 PTGDR2 (0.47) HTR6MEN1KMT2ANAMPT
SCHEMBL7041028 0.73 NAMPT (0.55) HTR1ADRD2NPFFR1NPFFR2OPRM1
SCHEMBL14087069 0.73 DRD2 (0.47) DRD2NPFFR1NPFFR2KDM4EMEN1
SCHEMBL6043002 0.72 DRD2 (0.59) HTR6HTR1ADRD2HTR2AHTT

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 15 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-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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 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
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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
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
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 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
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 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 (5 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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 HTR6 646/4885HTR1A 295/4885DRD2 3103/4885
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 HTR6 63/4885HTR1A 52/4885DRD2 2382/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 HTR6 646/4885HTR1A 295/4885DRD2 3103/4885
US-20120184745-A1 SYNTHESIS OF (4-FLUORO-3-PIPERIDIN-4-YL-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER AND INTERMEDIATES THEREOF TBC1D5, TBC1D15, TERT HTR6 1837/4885HTR1A 2693/4885DRD2 2750/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 HTR6 646/4885HTR1A 295/4885DRD2 3103/4885

“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.