SCHEMBL3330747

SCHEMBL3330747

CN1CCOc2cc(O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NOTUM Q6P988 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
HDAC4 P56524 2/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
AR P10275 1/20 0.42
CYP3A4 P08684 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL3331494 0.87 DRD2 (0.46) CYP11B1CYP11B2NOTUMDRD2DRD1
Bromide SCHEMBL15020506 0.86 DRD2 (0.44) CYP11B1CYP11B2NOTUMDRD2DRD1
SCHEMBL16411529 0.83 ALDH1A1 (0.48) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL28136150 0.81 CYP3A4 (0.44) CYP11B1CYP11B2DRD2DRD1DRD4
SCHEMBL2334976 0.80 CYP11B1 (0.52) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL154510 0.80 CYP11B1 (0.52) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL25443617 0.79 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL6793277 0.79 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL902429 0.79 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMALDH1A1HTT
SCHEMBL21893788 0.79 CYP11B1 (0.51) CYP11B1CYP11B2NOTUMALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP11B1 419/4885CYP11B2 233/4885NOTUM 4523/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP11B1 419/4885CYP11B2 233/4885NOTUM 4523/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP11B1 419/4885CYP11B2 233/4885NOTUM 4523/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 CYP11B1 433/4885CYP11B2 237/4885NOTUM 4538/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CYP11B1 419/4885CYP11B2 233/4885NOTUM 4523/4885

“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.