SCHEMBL3329040

SCHEMBL3329040

O=C1COc2cc3c(cc2O1)C1(CNc2ccccc21)CO3

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL16752599 0.84 MEN1 (0.31)
SCHEMBL18763622 0.84
SCHEMBL4728132 0.83 SCN9A (0.39) SCN9ABACE1
SCHEMBL2305395 0.76 SCN9A (0.39) SCN9ABACE1
SCHEMBL17160824 0.72 BACE1 (0.33) BACE1
SCHEMBL4732765 0.72
SCHEMBL17160823 0.70
SCHEMBL3330869 0.70 DAO (0.34) BACE1
SCHEMBL3333371 0.70 PDK2 (0.35) BACE1
SCHEMBL4728678 0.69 SCN9A (0.43) SCN9ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 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 (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-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885BACE1 1892/4885

“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.