SCHEMBL3400672

SCHEMBL3400672

NC(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CES2 O00748 1/20 0.45
TACR1 P25103 6/20 0.43
EPHX1 P07099 2/20 0.43
DAO P14920 1/20 0.42
SLC6A4 P31645 1/20 0.42
CAPN1 P07384 1/20 0.42
LMNA P02545 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
GAA P10253 1/20 0.41
DHODH Q02127 1/20 0.41
AURKA O14965 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL16503765 0.90 EPHX1 (0.39) IDO1CES2TACR1EPHX1DAO
SCHEMBL28560207 0.90 EPHX1 (0.39) IDO1CES2TACR1EPHX1DAO
SCHEMBL45135 0.90 RXRA (0.43) IDO1TACR1EPHX1SLC6A4CAPN1
SCHEMBL25138788 0.89 TACR1 (0.46) IDO1CES2TACR1EPHX1DAO
SCHEMBL28484226 0.84 CES2 (0.48) IDO1CES2TACR1DAOSLC6A4
SCHEMBL28545725 0.83 P2RX1 (0.40) EPHX1LMNAAURKA
SCHEMBL1015795 0.82 LMNA (0.54) CES2TACR1LMNARXRARXRB
SCHEMBL30645023 0.82 TAAR1 (0.62) IDO1EPHX1AURKA
SCHEMBL185922 0.82 TAAR1 (0.62) IDO1EPHX1AURKA
SCHEMBL2387771 0.81 RXRA (0.50) CAPN1LMNARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377064-A1 ORVEPITANT FOR THE TREATMENT OF CHRONIC COUGH NeRRe Therapeutics Limited (GB) 2018-09-26 EP claimed
WO-2017118584-A1 ORVEPITANT FOR THE TREATMENT OF CHRONIC COUGH NERRE THERAPEUTICS LIMITED (GB) 2017-07-13 WO claimed
EP-2906219-A1 NOVEL USES NeRRe Therapeutics Limited (GB) 2015-08-19 EP claimed
WO-2012175434-A1 PHARMACEUTICAL FORMULATIONS COMPRISING VESTIPITANT GLAXO GROUP LIMITED (GB) 2012-12-27 WO claimed
US-7276509-B2 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2007-10-02 US claimed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US claimed
US-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2005-05-05 US claimed
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
EP-1218359-B1 PIPERAZINE COMPOUNDS AS TACHYKININS ANTAGONISTS GLAXO GROUP LTD (GB) 2004-07-07 EP claimed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO claimed
US-11813248-B2 NK-1 antagonist compositions and methods for use in treating depression CHASE THERAPEUTICS CORPORATION (US) 2023-11-14 US disclosed
WO-2023111938-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA, Alexandre (CH) 2023-06-22 WO disclosed
US-20220168281-A1 NK-1 ANTAGONIST COMPOSITIONS AND METHODS FOR USE IN TREATING DEPRESSION CHASE THERAPEUTICS CORPORATION (US) 2022-06-02 US disclosed
US-20220160683-A1 NK-1 ANTAGONIST COMPOSITIONS AND METHODS FOR USE IN TREATING DEPRESSION CHASE THERAPEUTICS CORPORATION (US) 2022-05-26 US disclosed
WO-2003066635-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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 (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-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins NPSR1, TACR1, OPRL1 IDO1 764/4885CES2 1325/4885TACR1 2/4885

“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.