SCHEMBL4550757

SCHEMBL4550757

Cc1cc(CN)cnc1OCC(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
FFAR1 O14842 1/20 0.33
CYP17A1 P05093 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
LOX P28300 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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 SCHEMBL2715838 0.98 SCN9A (0.35) SCN9AFFAR1CYP17A1AAK1
SCHEMBL2715351 0.84 SCN9A (0.35) SCN9AFFAR1CYP17A1AAK1
SCHEMBL2714312 0.84 SCN9A (0.35) SCN9AFFAR1CYP17A1AAK1
SCHEMBL4550474 0.81 MAPT (0.34) SCN9A
SCHEMBL10290353 0.81 DHFR (0.31) SCN9A
SCHEMBL4550342 0.81 SCN9A (0.40) SCN9ALOXLOXL2
Hydrochloric Acid SCHEMBL2713173 0.80 DHFR (0.30)
Hydrochloric Acid SCHEMBL2716088 0.80 MAPT (0.33) SCN9A
SCHEMBL17247968 0.80 NOS3 (0.39) SCN9ACYP17A1AAK1
Hydrochloric Acid SCHEMBL2717080 0.79 SCN9A (0.39) SCN9ALOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SCN9A 31/4885FFAR1 2368/4885CYP17A1 4002/4885

“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.