SCHEMBL3329348

SCHEMBL3329348

O=C1N(C(c2ccccc2)c2ccccc2)c2ccccc2C1(O)c1cc2c(cc1O)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
P4HB P07237 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL3329230 0.96 SCN9A (0.43) SCN9AALDH1A1GAAMAPTP4HB
SCHEMBL281702 0.93 SCN9A (0.46) SCN9AALDH1A1GAAMAPTP4HB
SCHEMBL281952 0.89 SCN9A (0.35) SCN9AALDH1A1GAAMAPTP4HB
SCHEMBL281180 0.89 SCN9A (0.35) SCN9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2309109 0.89 ALDH1A1 (0.37) SCN9AALDH1A1GAAMAPTCYP1A2
SCHEMBL2303221 0.89 MAPT (0.38) SCN9AALDH1A1GAAMAPTHPGD
SCHEMBL2356993 0.89 ALDH1A1 (0.37) SCN9AALDH1A1GAAMAPTCYP1A2
SCHEMBL15315022 0.88 ALDH1A1 (0.41) SCN9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2583417 0.88 ALDH1A1 (0.38) SCN9AALDH1A1GAAMAPTCYP1A2
SCHEMBL3329674 0.88 SCN9A (0.39) SCN9AALDH1A1GAASMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838902-B1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2018-12-05 EP disclosed
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-03-09 US disclosed
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-03-09 US disclosed
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-03-09 US disclosed
US-9487535-B2 Asymmetric syntheses for spiro-oxindole compounds useful as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-08 US disclosed
US-9487535-B2 Asymmetric syntheses for spiro-oxindole compounds useful as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-08 US disclosed
US-9487535-B2 Asymmetric syntheses for spiro-oxindole compounds useful as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-08 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
WO-2013154712-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-10-17 WO disclosed
WO-2013154712-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-10-17 WO disclosed
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS PACIRA PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS PACIRA PHARMACEUTICALS, INC. 2013-10-17 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
WO-2012049555-A1 SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2012-04-19 WO 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 (6 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 SCN9A 61/4885ALDH1A1 1020/4885GAA 3403/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885ALDH1A1 1020/4885GAA 3403/4885
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 SCN9A 51/4885ALDH1A1 712/4885GAA 4090/4885
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 SCN9A 51/4885ALDH1A1 712/4885GAA 4090/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 SCN9A 62/4885ALDH1A1 1005/4885GAA 3290/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885ALDH1A1 1020/4885GAA 3403/4885

“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.