SCHEMBL3334778

SCHEMBL3334778

Oc1ccc2c(c1)OCCCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.44
CTNNB1 P35222 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL16772953 0.94 CYP3A4 (0.61) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL16773128 0.92 CYP3A4 (0.59) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL746125 0.91 CYP3A4 (0.74) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL30839096 0.91 CYP3A4 (0.74) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL16773394 0.88 CYP3A4 (0.59) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL24402696 0.84 CYP3A4 (0.65) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL16772952 0.84 CYP3A4 (0.65) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL14176787 0.84 CYP3A4 (0.65) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL16773414 0.84 CYP3A4 (0.65) CYP3A4NPC1RAB9AMAPTMAPK1
SCHEMBL16773393 0.84 CYP3A4 (0.65) CYP3A4NPC1RAB9AMAPTMAPK1

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 CYP3A4 991/4885NPC1 790/4885RAB9A 1615/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP3A4 991/4885NPC1 790/4885RAB9A 1615/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP3A4 991/4885NPC1 790/4885RAB9A 1615/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 CYP3A4 1112/4885NPC1 804/4885RAB9A 1619/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP3A4 991/4885NPC1 790/4885RAB9A 1615/4885

“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.