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SCHEMBL2484345

SCHEMBL2484345

NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ RXRA P19793 2/20 0.47
▸ RXRB P28702 2/20 0.47
▸ RXRG P48443 2/20 0.47
▸ TACR1 P25103 4/20 0.46
▸ ICMT O60725 3/20 0.46
▸ EPHX1 P07099 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ MLYCD O95822 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
Hydrochloric Acid SCHEMBL3152131 0.98 IDO1 (0.50) IDO1CES2RXRARXRBRXRG
Hydrochloric Acid SCHEMBL3143821 0.98 IDO1 (0.50) IDO1CES2RXRARXRBRXRG
Fumaric Acid SCHEMBL7706653 0.89 RXRA (0.44) IDO1CES2RXRARXRBRXRG
SCHEMBL5389064 0.89 RXRA (0.49) IDO1CES2RXRARXRBRXRG
Hydrochloric Acid SCHEMBL5394073 0.87 RXRA (0.48) IDO1CES2RXRARXRBRXRG
SCHEMBL30875890 0.87 GRIN2B (0.43) IDO1RXRARXRBRXRGTACR1
SCHEMBL1432864 0.87 NOTUM (0.45) IDO1CES2RXRARXRBRXRG
SCHEMBL16560482 0.84 CA2 (0.39) TACR1ICMTEPHX1CA2
SCHEMBL6865708 0.83 CES2 (0.52) IDO1CES2RXRARXRBRXRG
SCHEMBL30496803 0.81 EPHX1 (0.59) IDO1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 — — US claimed
US-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY HOFFMANN TORSTEN 2011-03-03 — — US claimed
US-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 — — US claimed
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 — — EP claimed
US-20100081667-A1 Chemical Compounds ALVARO GIUSEPPE 2010-04-01 — — US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 — — US claimed
EP-1856052-B1 NK1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-09-02 — — EP claimed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 — — EP claimed
US-7482365-B2 4-(2,2-Dimethyl-propylamino)-2-(4-fluoro-2-methyl-phenyl)-piperidine-1-carboxylic acid, [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methylamide; specific antagonists of tachykinins receptor: substance P and neurokinins (NK1); antidepressant, anxiolytic agent; serotonin receptor inhibitor GLAXO GROUP LIMITED (GB) 2009-01-27 — — US claimed
EP-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 — — EP claimed
US-20020038030-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 — — US claimed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 — — EP claimed
WO-2002016324-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 — — WO claimed
WO-2002008232-A1 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 — — WO claimed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 — — WO claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 — — US claimed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 — — WO claimed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO claimed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20110053954-A1 METHOD OF TREATMENT AND/OR PREVENTION OF BRAIN, SPINAL OR NERVE INJURY NTSR1, NTRK2, NMUR1 IDO1 817/4885CES2 3934/4885RXRA 1186/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R IDO1 1133/4885CES2 2192/4885RXRA 2772/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 IDO1 4211/4885CES2 2436/4885RXRA 1511/4885
US-20020038030-A1 Heteroaromatic substituted amides with antagonistic activity to neurokinin 1 receptors TACR1, NPSR1, TACR2 IDO1 327/4885CES2 2634/4885RXRA 2699/4885
US-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 IDO1 1570/4885CES2 80/4885RXRA 2745/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 IDO1 4211/4885CES2 2436/4885RXRA 1511/4885

“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.