SCHEMBL563092

SCHEMBL563092

CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ncccc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.74
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
SCHEMBL562101 0.85 SCN9A (0.72) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280675 0.85 SCN9A (1.00) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280974 0.84 SCN9A (0.98) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281194 0.84 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280795 0.83 SCN9A (0.63) SCN9A
SCHEMBL281851 0.82 SCN9A (0.94) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL562463 0.82 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280651 0.82 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280882 0.81 SCN9A (0.71) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281226 0.81 SCN9A (0.60) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888592-B1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-04-06 EP claimed
US-7799798-B2 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-09-21 US claimed
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-02-09 US disclosed
EP-1888592-B1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-04-06 EP disclosed
EP-1888592-B1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-04-06 EP disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-02-10 US disclosed
US-7799798-B2 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-09-21 US disclosed
US-7799798-B2 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-09-21 US disclosed
US-7799798-B2 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-09-21 US disclosed
US-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US 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 (3 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-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents SCN3A, SCN1B, SCN2B SCN9A 51/4885SCN7A 31/4885SCN5A 62/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885SCN7A 28/4885SCN5A 40/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885SCN7A 28/4885SCN5A 40/4885

“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.