SCHEMBL282043

SCHEMBL282043

O=C1Nc2ccc(F)cc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN9A Q15858 5/20 0.41
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
AKR1B1 P15121 5/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.35
F2 P00734 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 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
SCHEMBL280653 0.85 ALDH1A1 (0.50) KMT2AMAPTCYP1A2CYP2C19SCN9A
SCHEMBL3334195 0.83 KMT2A (0.46) KMT2AMAPTCYP1A2CYP2C19SCN9A
SCHEMBL15312950 0.83 SCN9A (0.58) KMT2ACYP1A2CYP2C19SCN9ASCN7A
SCHEMBL17169499 0.83 SCN9A (0.58) KMT2ACYP1A2CYP2C19SCN9ASCN7A
SCHEMBL280646 0.83 SCN9A (0.58) KMT2ACYP1A2CYP2C19SCN9ASCN7A
SCHEMBL2303144 0.79 SCN9A (0.57) KMT2AMAPTCYP1A2CYP2C19SCN9A
SCHEMBL3332481 0.77 SCN9A (0.46) KMT2AMAPTCYP1A2CYP2C19SCN9A
SCHEMBL3328842 0.76 SCN9A (0.54) KMT2AMAPTCYP1A2CYP2C19SCN9A
SCHEMBL281810 0.76 SCN9A (0.43) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL385128 0.75 SCN9A (0.58) KMT2ASCN9ASCN7ASCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120122909-A9 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-05-17 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
US-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-10-13 US disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-7935721-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2011-05-03 US disclosed
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 US disclosed
US-20100130487-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-27 US disclosed
US-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-20 US disclosed
US-7700641-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-04-20 US disclosed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 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 (7 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-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885MAPT 447/4885CYP1A2 674/4885
US-20100130487-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885MAPT 447/4885CYP1A2 674/4885
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B KMT2A 1139/4885MAPT 109/4885CYP1A2 589/4885
US-20120122909-A9 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885MAPT 447/4885CYP1A2 674/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A KMT2A 2666/4885MAPT 447/4885CYP1A2 674/4885
US-20110251224-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A KMT2A 2666/4885MAPT 447/4885CYP1A2 674/4885
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B KMT2A 1139/4885MAPT 109/4885CYP1A2 589/4885

“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.