SCHEMBL3329555

SCHEMBL3329555

O=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cc3c(cc21)OCCO3

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.46
▸ SCN7A Q01118 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN8A Q9UQD0 1/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ CHRM5 P08912 7/20 0.41
▸ HSP90AA1 P07900 1/20 0.37
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ALDH2 P05091 1/20 0.34
▸ ALDH3A1 P30838 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
SCHEMBL281593 0.80 CHRM5 (0.60) CHRM5HSP90AA1CA1CA2CA9
SCHEMBL2304043 0.78 CHRM5 (0.58) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3333047 0.76 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3329109 0.73 SCN9A (0.41) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3335349 0.73 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281757 0.72 CHRM5 (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3330904 0.71 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4850993 0.70 SCN9A (0.41) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2309587 0.69 SCN9A (0.89) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2305585 0.69 SCN9A (0.89) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 — — US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 — — US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 — — EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 — — US disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 — — EP disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 — — US disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 — — US disclosed
US-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 — — US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 — — US disclosed
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 (5 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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885SCN7A 72/4885SCN5A 35/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885SCN7A 72/4885SCN5A 35/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885SCN7A 72/4885SCN5A 35/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 SCN9A 62/4885SCN7A 74/4885SCN5A 34/4885
US-20100137299-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.

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