SCHEMBL561973

SCHEMBL561973

CCCCCN1C(=O)C(c2ccc3c(c2)OCO3)c2sccc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.69
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL561623 0.84 SCN9A (0.54) SCN9A
SCHEMBL281597 0.82 SCN9A (1.00) SCN9AHTTALDH1A1KDM4ELMNA
SCHEMBL4596915 0.75 SCN9A (0.63) SCN9AALDH1A1
SCHEMBL5431005 0.74 SCN9A (0.68) SCN9A
SCHEMBL4903741 0.73 SCN9A (0.73) SCN9AHTTALDH1A1
SCHEMBL4597686 0.73 SCN9A (0.73) SCN9A
SCHEMBL281769 0.70 SCN9A (0.75) SCN9AALDH1A1HSD17B10
SCHEMBL282036 0.69 SCN9A (0.74) SCN9AALDH1A1HSD17B10
SCHEMBL4731879 0.69 SCN9A (0.70) SCN9A
SCHEMBL281923 0.67 SCN9A (0.57) SCN9AALDH1A1TSHRHSD17B10

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-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-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 51/4885HTT 1761/4885ALDH1A1 1435/4885
US-20110034500-A1 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885HTT 1983/4885ALDH1A1 1200/4885
US-20120035199-A9 SPIROHETEROCYCLIC COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS SCN3A, SCN1B, SCN2B SCN9A 29/4885HTT 1983/4885ALDH1A1 1200/4885

“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.