SCHEMBL14920122

SCHEMBL14920122

Cc1cc(C(=O)NCc2ccc([N+](C)(C)C)cc2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 1.00
MAPK14 Q16539 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 2/20 0.48
PTGER4 P35408 2/20 0.44
POLB P06746 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER2 P43116 1/20 0.42

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
SCHEMBL16174355 0.90 SCN9A (0.82) SCN9AMAPK14CYP3A4MAPTPTGER4
SCHEMBL14920084 0.86 SCN9A (0.76) SCN9AMAPK14CYP3A4MAPTPTGER4
SCHEMBL16172462 0.85 SCN9A (0.75) SCN9AMAPK14CYP3A4MAPTL3MBTL1
SCHEMBL14920244 0.82 SCN9A (1.00) SCN9A
SCHEMBL16172524 0.82 SCN9A (0.69) SCN9AMAPK14CYP3A4MAPTPTGER4
SCHEMBL14921893 0.81 SCN9A (0.74) SCN9AMAPK14CYP3A4LMNA
SCHEMBL16172469 0.80 SCN9A (0.67) SCN9APOLB
SCHEMBL14919913 0.78 SCN9A (0.74) SCN9A
SCHEMBL16172516 0.78 SCN9A (0.64) SCN9AMAPK14CYP3A4MAPTPTGER4
SCHEMBL16172474 0.77 SCN9A (0.63) SCN9AMAPK14CYP3A4MAPTPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388137-B2 Quaternized amines as sodium channel blockers PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-9388137-B2 Quaternized amines as sodium channel blockers PURDUE PHARMA L.P. (US) 2016-07-12 US disclosed
US-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-16 US disclosed
US-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-16 US disclosed
WO-2013064884-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-10 WO disclosed
WO-2013064884-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-10 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-20140309228-A1 QUATERNIZED AMINES AS SODIUM CHANNEL BLOCKERS CACNA1A, SCN1B, SCN1A SCN9A 23/4885MAPK14 3352/4885CYP3A4 1275/4885

“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.