SCHEMBL281277

SCHEMBL281277

O=C(NCc1cccc(F)c1)c1cccc(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
SCN9A Q15858 11/20 0.53
SCN7A Q01118 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
MMP13 P45452 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CHRM3 P20309 2/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL281516 0.94 SCN9A (0.53) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL280964 0.93 SCN9A (0.55) HPGDSCN9ASCN7ASCN5ASCN2A
SCHEMBL280992 0.91 SCN9A (0.51) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL280766 0.91 SCN9A (0.52) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL281316 0.90 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281337 0.90 SCN9A (0.53) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL281499 0.89 SCN9A (0.58) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL280857 0.89 SCN9A (0.54) HPGDTSHRSCN9ASCN7ASCN5A
SCHEMBL281004 0.89 SCN9A (0.51) TSHRSCN9ASCN7ASCN5ASCN2A
SCHEMBL280844 0.89 SCN9A (0.54) TSHRSCN9ASCN7ASCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP claimed
US-7700641-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-04-20 US claimed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US claimed
EP-3241834-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2017-11-08 EP disclosed
EP-2428515-B9 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-09-17 EP disclosed
EP-2752417-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2014-07-09 EP disclosed
EP-2428515-B1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2014-05-07 EP disclosed
US-8466188-B2 Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-06-18 US disclosed
EP-2428515-A1 Spiro-oxindole compounds and their uses as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2012-03-14 EP disclosed
EP-2073806-B1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-15 EP disclosed
EP-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 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 (3 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-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B HPGD 847/4885TSHR 1059/4885SCN9A 2100/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A HPGD 1093/4885TSHR 1593/4885SCN9A 47/4885
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B HPGD 847/4885TSHR 1059/4885SCN9A 2100/4885

“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.