SCHEMBL281336

SCHEMBL281336

O=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.50
ALDH1A1 P00352 4/20 0.50
BCHE P06276 3/20 0.50
CES2 O00748 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TTR P02766 1/20 0.48
TGM2 P21980 1/20 0.47
ALDH2 P05091 3/20 0.46
ALDH3A1 P30838 3/20 0.46
CHRM1 P11229 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PARK7 Q99497 1/20 0.44
CASP3 P42574 2/20 0.43
CTRB1 P17538 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL2306608 0.91 CHRM1 (0.49) CES1ALDH1A1BCHECES2GAA
Hexane SCHEMBL28139534 0.89 ALDH1A1 (0.56) CES1ALDH1A1BCHECES2GAA
SCHEMBL4595659 0.82 CES1 (0.50) CES1ALDH1A1BCHECES2GAA
SCHEMBL18130273 0.82 CES1 (0.50) CES1ALDH1A1BCHECES2GAA
SCHEMBL281978 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2304466 0.80 ALDH1A1 (0.54) CES1ALDH1A1ALDH2ALDH3A1CHRM1
SCHEMBL2304183 0.80 PARK7 (0.51) ALDH1A1ALDH3A1PARK7CASP3
SCHEMBL2307595 0.80 PARK7 (0.42) CES1ALDH1A1BCHECES2GAA
SCHEMBL28362284 0.78 CES1 (0.44) CES1ALDH1A1BCHECES2GAA
SCHEMBL28251624 0.78 CES1 (0.46) CES1ALDH1A1BCHECES2GAA

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 72 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
EP-3241834-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2017-11-08 EP disclosed
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN disclosed
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
CN-103664973-B Spiro-oxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-19 CN disclosed
CN-102256983-B Spirooxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-05 CN 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
WO-2008060789-A2 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-05-22 WO disclosed
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
WO-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
WO-2008046049-A1 SPIRO (FURO [3, 2-C] PYRIDINE-3-3 ' -INDOL) -2' (1'H)-ONE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SODIUM-CHANNEL MEDIATED DISEASES, SUCH AS PAIN XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed
EP-1888595-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-02-20 EP disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed
WO-2006110917-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-19 WO 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 (4 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 CES1 3034/4885ALDH1A1 1020/4885BCHE 4634/4885
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 CES1 4183/4885ALDH1A1 1136/4885BCHE 3876/4885
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 CES1 2779/4885ALDH1A1 712/4885BCHE 4618/4885
US-20060252812-A1 Spiro-oxindole compounds and their uses as therapeutic agents OPRK1, OPRD1, SCN3A CES1 3669/4885ALDH1A1 838/4885BCHE 4848/4885

“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.