SCHEMBL9959221

SCHEMBL9959221

CC(C)(C)C(=O)Nc1cc([C@H](O)CO)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.69

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
SCHEMBL9959225 1.00 SCN9A (0.69) SCN9A
SCHEMBL9953703 0.83 SCN9A (0.64) SCN9A
SCHEMBL9958805 0.82 SCN9A (1.00) SCN9A
SCHEMBL9958804 0.82 SCN9A (1.00) SCN9A
SCHEMBL9953807 0.81 SCN9A (0.48) SCN9A
SCHEMBL369038 0.79 SCN9A (0.77) SCN9A
SCHEMBL369039 0.79 SCN9A (0.77) SCN9A
SCHEMBL368401 0.78 SCN9A (0.81) SCN9A
SCHEMBL368520 0.78 SCN9A (0.81) SCN9A
SCHEMBL368402 0.78 SCN9A (0.81) 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-9656959-B2 Substituted pyridines as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
US-9656959-B2 Substituted pyridines as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-05-23 US disclosed
EP-2655330-B1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2016-02-10 EP disclosed
EP-2655330-B1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2016-02-10 EP disclosed
US-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2014-01-02 US disclosed
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 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-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers SCN1B, CACNA1A, SCN1A SCN9A 97/4885

“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.