SCHEMBL3305752

SCHEMBL3305752

O=C(O)N1CC[C@@H](Nc2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.49
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3331160 0.92 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL383793 0.89 SCN9A (0.47) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL386363 0.83 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL384753 0.82 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL12315029 0.81 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL17169516 0.81 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281281 0.80 SCN9A (0.69) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280965 0.80 SLC6A12 (0.62) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281454 0.80 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281032 0.80 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099728-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-04-22 US claimed
EP-2350091-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
US-20100099728-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-04-22 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-20100099728-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885SCN7A 72/4885SCN5A 35/4885

“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.