SCHEMBL2714554

SCHEMBL2714554

Cc1cc(CO)cc(C)c1OCC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 12/20 0.38
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
CYP2C9 P11712 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 1/20 0.34
GBA1 P04062 1/20 0.34
MAOA P21397 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL2715708 0.85 SCN4A (0.41) SCN4AMAPTGLALMNATSHR
SCHEMBL4550829 0.81 SCN4A (0.45) SCN4AMAPTGLALMNATSHR
SCHEMBL19664495 0.80 GLA (0.47) SCN4AMAPTGLALMNATSHR
Hydrochloric Acid SCHEMBL2717073 0.80 SCN4A (0.44) SCN4AMAPTGLALMNATSHR
SCHEMBL17159714 0.79 SCN4A (0.36) SCN4AMAPTGLALMNATSHR
SCHEMBL2715809 0.77 KDM4E (0.39) SCN4ACYP1A2S1PR1
SCHEMBL26087618 0.76 MAPT (0.42) MAPTGLALMNATSHRHTR2A
SCHEMBL2714312 0.76 SCN9A (0.35) SCN9AS1PR1
SCHEMBL27914049 0.76 SCN4A (0.39) SCN4AMAPTGLALMNATSHR
SCHEMBL2716010 0.75 TPMT (0.39) SCN4ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 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
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

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 SCN4A 20/4885MAPT 3185/4885GLA 1824/4885

“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.