SCHEMBL3330328

SCHEMBL3330328

CC(C)NC(=O)N1CCCC(CCN2C(=O)C3(Cc4c(ccc5c4OCO5)O3)c3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.43
DRD2 P14416 6/20 0.36
HTR2A P28223 6/20 0.36
DRD3 P35462 6/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL3330325 0.80 SCN9A (0.34) SCN9APKMEPHX2
SCHEMBL3333536 0.79 SCN9A (0.55) SCN9A
SCHEMBL3330324 0.73 SCN9A (0.36) SCN9AALDH1A1MAPTPKMHTT
SCHEMBL14221668 0.69 SCN9A (0.43) SCN9ALMNAPOLBEPHX2
SCHEMBL14221705 0.65 SCN9A (0.42) SCN9ALMNAPOLB
SCHEMBL3330443 0.65 SCN9A (0.46) SCN9ALMNAALDH1A1MAPT
SCHEMBL484184 0.65 SCN9A (0.42) SCN9AALDH1A1
SCHEMBL3335377 0.65 SCN9A (0.40) SCN9ALMNAALDH1A1
SCHEMBL3334296 0.65 SCN9A (0.54) SCN9A
SCHEMBL14221187 0.64 SCN9A (0.44) SCN9ALMNAPOLBALDH1A1MAPT

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 61/4885DRD2 612/4885HTR2A 262/4885

“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.