SCHEMBL561909

SCHEMBL561909

CCCCCN1C(=O)C(CO)(c2cc3c(cc2O)OCO3)c2cnccc21

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.58

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
SCHEMBL561859 0.87 SCN9A (0.60) SCN9A
SCHEMBL281825 0.87 SCN9A (0.77) SCN9A
SCHEMBL563057 0.83 SCN9A (0.60) SCN9A
SCHEMBL562003 0.82 SCN9A (0.57) SCN9A
SCHEMBL562442 0.82 SCN9A (0.58) SCN9A
SCHEMBL562340 0.81 SCN9A (0.56) SCN9A
SCHEMBL281558 0.80 SCN9A (0.61) SCN9A
SCHEMBL14533507 0.79 SCN9A (0.65) SCN9A
SCHEMBL562463 0.78 SCN9A (0.75) SCN9A
SCHEMBL3598024 0.77 SCN9A (0.55) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-05-01 US claimed
US-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-16 US claimed
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
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-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-05-01 US disclosed
WO-2008046065-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
WO-2008046082-A2 USE OF HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1888592-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-02-20 EP disclosed
EP-1879892-A2 2-PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2008-01-23 EP disclosed
US-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-16 US disclosed
US-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US disclosed
WO-2006113875-A2 2 - PYRROLIDONE DERIVATIVES AND THEIR USES FOR THE TREATMENT OF INFLAMMATORY CONDITIONS AND PAIN XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed
WO-2006110654-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-19 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 (5 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-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents TRPV1, TRPV3, TRPV5 SCN9A 83/4885
US-20060252758-A1 Spiroheterocyclic compounds and their uses as therapeutic agents SCN3A, SCN1B, SCN2B SCN9A 51/4885
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents TRPV1, TRPV3, TRPV5 SCN9A 83/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885

“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.