SCHEMBL3779540

SCHEMBL3779540

COC(=O)C(=O)c1ccc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HDAC4 P56524 1/20 0.38
GAA P10253 1/20 0.38
CLCN2 P51788 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3184249 0.84 CES2 (0.68) CES2CES1MAPTNPC1RAB9A
SCHEMBL1521930 0.83 MAPT (0.51) CES2CES1MAPTHTTRAB9A
SCHEMBL30628241 0.83 MAPT (0.51) CES2CES1MAPTHTTRAB9A
SCHEMBL30628238 0.83 MAPT (0.51) CES2CES1MAPTHTTRAB9A
SCHEMBL15999795 0.81 TAS1R3 (0.48) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL1097161 0.81 NPC1 (0.51) CES2CES1MAPTHTTNPC1
SCHEMBL29280613 0.81 CES2 (0.44) CES2CES1MAPTNPC1RAB9A
SCHEMBL836181 0.79 CES2 (0.50) CES2CES1KDM4EHDAC4CLCN2
SCHEMBL4029243 0.79 CES2 (0.50) CES2CES1MAPTKDM4EHDAC4
SCHEMBL28439991 0.79 HDAC8 (0.41) MAPTNPC1RAB9AKDM4EGAA

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
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss GLAXO GROUP LIMITED 2010-12-16 US disclosed
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-2079470-A2 COMPOSITION COMPRISING AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR THE TREATMENT OF TINNITUS AND HEARING LOSS Glaxo Group Limited (GB) 2009-07-22 EP disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
WO-2008046882-A2 COMPOSITION COMPRISING AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR THE TREATMENT OF TINNITUS AND HEARING LOSS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed
US-7345041-B2 treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate SMITHKLINE BEECHAM CORPORATION (US) 2008-03-18 US disclosed
US-RE39921-E1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7071196-B2 Chemical compounds SMITHKLINE BEECHAM CROPORATION (US) 2006-07-04 US disclosed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US disclosed
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . GLAXOSMITHKLINE LLC 2004-10-21 US disclosed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
EP-1218359-B1 PIPERAZINE COMPOUNDS AS TACHYKININS ANTAGONISTS GLAXO GROUP LTD (GB) 2004-07-07 EP disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US disclosed
US-6642240-B2 Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example SMITHKLINE BEECHAM CORPORATION 2003-11-04 US disclosed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 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-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 CES2 1790/4885CES1 4351/4885MAPT 1444/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 CES2 1790/4885CES1 4351/4885MAPT 1444/4885
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . TACR1, TACR2, NPSR1 CES2 1747/4885CES1 3239/4885MAPT 2493/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 CES2 61/4885CES1 217/4885MAPT 988/4885
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss HTR1A, TPH1, HTR5A CES2 4586/4885CES1 3596/4885MAPT 3425/4885

“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.