SCHEMBL3331071

SCHEMBL3331071

[CH2]c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.74
NPC1 O15118 11/20 0.74
SMN1; SMN2 Q16637 9/20 0.74
NFKB1 P19838 7/20 0.74
NFKB2 Q00653 7/20 0.74
RELA Q04206 7/20 0.74
MAPT P10636 5/20 0.74
TP53 P04637 4/20 0.74
ALDH1A1 P00352 3/20 0.74
HTT P42858 3/20 0.73
GAA P10253 1/20 0.73
LY96 Q9Y6Y9 1/20 0.65
TRPV1 Q8NER1 1/20 0.64
KMT2A Q03164 2/20 0.60
PLAU P00749 1/20 0.60
LMNA P02545 2/20 0.58
MELK Q14680 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.54

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
SCHEMBL28256407 0.84 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29669746 0.84 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8460943 0.83 RAB9A (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL20078361 0.82 RAB9A (0.83) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7430798 0.79 PLAU (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28256463 0.79 LY96 (1.00) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21468516 0.78 NPC1 (0.68) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13170480 0.78 NPC1 (0.86) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL28256405 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29669668 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
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
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN 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 RAB9A 1615/4885NPC1 790/4885SMN1; SMN2 289/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 RAB9A 1615/4885NPC1 790/4885SMN1; SMN2 289/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 RAB9A 1615/4885NPC1 790/4885SMN1; SMN2 289/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 RAB9A 1619/4885NPC1 804/4885SMN1; SMN2 272/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 RAB9A 1615/4885NPC1 790/4885SMN1; SMN2 289/4885

“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.