SCHEMBL2585339

SCHEMBL2585339

O=C1N(Cc2ccccn2)c2cccnc2C12COc1cc3c(cc12)OCCO3

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.67
SCN7A Q01118 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL3333040 0.90 SCN9A (0.78) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2307690 0.90 SCN9A (0.78) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL2305809 0.89 SCN9A (0.77) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL3332644 0.89 SCN9A (0.77) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3332999 0.86 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3334807 0.86 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12157713 0.85 SCN9A (0.66) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2579035 0.85 SCN9A (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2307843 0.85 SCN9A (0.65) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281458 0.84 SCN9A (0.78) SCN9ASCN7ASCN5ASCN2ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US claimed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
US-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 US disclosed
WO-2010078307-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS SCN3A, SCN1B, SCN2B SCN9A 27/4885SCN7A 30/4885SCN5A 5/4885

“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.