SCHEMBL94832

SCHEMBL94832

[CH2]c1ccc(C(=O)Nc2ccc(C)cc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.64
TAS1R1 Q7RTX1 2/20 0.64
TAS1R2 Q8TE23 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL12388857 0.90 TAS1R3 (0.71) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL4449040 0.84 TAS1R3 (0.69) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL10762097 0.84 MAPT (0.68) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL8820818 0.83 MAPT (0.71) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL2305433 0.83 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL7302035 0.83 NR1H4 (0.67) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL11955303 0.82 TAS1R3 (0.75) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL19462539 0.81 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL2560030 0.81 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL13754033 0.81 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US claimed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO claimed
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
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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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 TAS1R3 2117/4885TAS1R1 2803/4885TAS1R2 2667/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 TAS1R3 2117/4885TAS1R1 2803/4885TAS1R2 2667/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TAS1R3 484/4885TAS1R1 151/4885TAS1R2 179/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 TAS1R3 2117/4885TAS1R1 2803/4885TAS1R2 2667/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 TAS1R3 2248/4885TAS1R1 2912/4885TAS1R2 2720/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 TAS1R3 2117/4885TAS1R1 2803/4885TAS1R2 2667/4885

“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.