SCHEMBL4732307

SCHEMBL4732307

CCCCCN1C(=O)C(F)(c2ccc3c(c2)OCO3)c2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.60
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL4727515 0.86 SCN9A (0.77) SCN9A
SCHEMBL4763094 0.84 SCN9A (0.57) SCN9A
SCHEMBL4722063 0.81 SCN9A (0.57) SCN9A
SCHEMBL562101 0.78 SCN9A (0.72) SCN9A
SCHEMBL562526 0.77 SCN9A (0.57) SCN9A
SCHEMBL562340 0.76 SCN9A (0.56) SCN9A
SCHEMBL281707 0.75 SCN9A (1.00) SCN9A
SCHEMBL4597622 0.74 SCN9A (1.00) SCN9A
SCHEMBL4597116 0.74 SCN9A (1.00) SCN9A
SCHEMBL4596851 0.72 SCN9A (0.75) 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 7 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-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-2008046082-A2 USE OF HETEROCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
US-20060258659-A1 Heterocyclic compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-16 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 (2 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 83/4885NR1H2 1371/4885NR1H3 1682/4885
US-20080103151-A9 Heterocyclic compounds and their uses as therapeutic agents TRPV1, TRPV3, TRPV5 SCN9A 83/4885NR1H2 1371/4885NR1H3 1682/4885

“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.