SCHEMBL3332098

SCHEMBL3332098

CN1C(=O)COc2ccc(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PTGER3 P43115 1/20 0.43
GRM4 Q14833 1/20 0.43
USP30 Q70CQ3 1/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMO O15229 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
PLK1 P53350 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL3331324 0.87 CYP11B2 (0.53) PDE3BPDE3ACYP11B1CYP11B2ALOX5
SCHEMBL280110 0.81 TSHR (0.58) PDE3BPDE3ATSHRHTTALDH1A1
SCHEMBL9467658 0.80 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL653919 0.80 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL30991588 0.80 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL993713 0.80 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL13780087 0.80 KMO (0.58) PDE3BPDE3ATSHRHTTMAPT
SCHEMBL265087 0.80 PDE3B (0.54) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL30336556 0.80 PDE3B (0.54) PDE3BPDE3ACYP11B1CYP11B2TSHR
SCHEMBL1119881 0.80 PTGER3 (0.51) PDE3BPDE3ACYP11B1CYP11B2TSHR

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 14 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
CN-105218565-A Spiral shell oxindole compounds and the purposes as therapeutical agent thereof XENON PHARMACEUTICALS INC 2016-01-06 CN disclosed
CN-105175433-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2015-12-23 CN 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
CN-103664973-A Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC 2014-03-26 CN 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 PDE3B 2164/4885PDE3A 1609/4885CYP11B1 419/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDE3B 2164/4885PDE3A 1609/4885CYP11B1 419/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDE3B 2164/4885PDE3A 1609/4885CYP11B1 419/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 PDE3B 2220/4885PDE3A 1648/4885CYP11B1 433/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 PDE3B 2164/4885PDE3A 1609/4885CYP11B1 419/4885

“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.