SCHEMBL3333371

SCHEMBL3333371

N#Cc1ccc2c(c1)C1(CNc3ccccc31)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 3/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
DAO P14920 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NPY5R Q15761 1/20 0.31
DRD2 P14416 5/20 0.31
DRD3 P35462 5/20 0.31

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
SCHEMBL3330869 0.90 DAO (0.34) PDK2ALDH1A1NPSR1BACE1DAO
SCHEMBL4728132 0.77 SCN9A (0.39) ALDH1A1BACE1
SCHEMBL2305395 0.77 SCN9A (0.39) BACE1
SCHEMBL4732765 0.73
SCHEMBL4728678 0.70 SCN9A (0.43) PDK2ALDH1A1BACE1DRD2DRD3
SCHEMBL28942776 0.70 NPY5R (0.33) NPY5R
SCHEMBL3329040 0.70 SCN9A (0.33) BACE1
SCHEMBL11215869 0.69 NOTUM (0.46) BACE1DAOPGRABCC9
SCHEMBL13740056 0.68 OPRD1 (0.39) BACE1DAODRD2DRD3PNMT
SCHEMBL10861134 0.67 DAO (0.38) BACE1DAODRD2DRD3ABCC9

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 9 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
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
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 PDK2 1230/4885ALDH1A1 1020/4885NPSR1 169/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDK2 1230/4885ALDH1A1 1020/4885NPSR1 169/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDK2 1230/4885ALDH1A1 1020/4885NPSR1 169/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 PDK2 1190/4885ALDH1A1 1005/4885NPSR1 170/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDK2 1230/4885ALDH1A1 1020/4885NPSR1 169/4885

“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.