SCHEMBL14919992

SCHEMBL14919992

Cc1cc(C(=O)NCC[N+]2(C)CCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 1.00
FPR2 P25090 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL14919879 0.99 SCN9A (1.00) SCN9AFPR2ACACBACACA
Ammonia Solution, Strong SCHEMBL16164297 0.99 SCN9A (0.98) SCN9AFPR2ACACBACACA
Ammonia Solution, Strong SCHEMBL16164296 0.99 SCN9A (0.98) SCN9AFPR2ACACBACACA
SCHEMBL14919950 0.92 SCN9A (1.00) SCN9A
SCHEMBL16172455 0.86 SCN9A (0.75) SCN9A
SCHEMBL16172460 0.85 SCN9A (0.75) SCN9A
SCHEMBL16172492 0.82 SCN9A (0.69) SCN9A
SCHEMBL16164223 0.82 SCN9A (0.98) SCN9A
SCHEMBL14920244 0.81 SCN9A (1.00) SCN9AFPR2
SCHEMBL14919913 0.81 SCN9A (0.74) SCN9A

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 8 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-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
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 23/4885FPR2 1434/4885ACACB 3957/4885

“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.