SCHEMBL2717551

SCHEMBL2717551

CC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)c(C)c2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGES O14684 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR3 P51677 1/20 0.38
CHRM4 P08173 1/20 0.38
MMP13 P45452 1/20 0.38
SCN9A Q15858 2/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 3/20 0.36
DDR2 Q16832 1/20 0.36
GSK3B P49841 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL18266806 0.93 CYP3A4 (0.40) CYP3A4AAK1LMNAALDH1A1SMN1; SMN2
SCHEMBL2714847 0.91 MAPT (0.47) LMNAALDH1A1SMN1; SMN2PTGESMAPK1
SCHEMBL2715547 0.91 PTGES (0.43) CYP3A4AAK1LMNAALDH1A1SMN1; SMN2
SCHEMBL2714301 0.89 PTGES (0.40) LMNAALDH1A1SMN1; SMN2PTGESMAPK1
SCHEMBL2714732 0.87 MAPT (0.48) CYP3A4AAK1LMNAALDH1A1PTGES
SCHEMBL2713499 0.87 SCN9A (0.38) ALDH1A1SMN1; SMN2CCR3MMP13SCN9A
SCHEMBL2715367 0.86 RIPK1 (0.44) CYP3A4SCN9APPARGPPARDPPARA
SCHEMBL2716175 0.85 ADORA3 (0.42) PPARGPPARDPPARAROCK2
SCHEMBL2715554 0.85 SCN9A (0.42) ALDH1A1PTGESCCR3CHRM4SCN9A
SCHEMBL18266463 0.84 PPARG (0.41) SCN9APPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN claimed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP claimed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A CYP3A4 2785/4885AAK1 2999/4885LMNA 1841/4885

“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.