SCHEMBL5494285

SCHEMBL5494285

CC/C=C/CC(CC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.63
GRIK2 Q13002 6/20 0.63
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FPR2 P25090 1/20 0.39

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
SCHEMBL9049408 1.00 GRIK1 (0.63) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL9306152 1.00 GRIK1 (0.63) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL9306159 1.00 GRIK1 (0.63) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL5494288 1.00 GRIK1 (0.63) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL2754221 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL3824909 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL12099047 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL2229237 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL2754220 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3
SCHEMBL2754222 0.94 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634437-B Simple preparation method of brivaracetam 武汉氟本氘合新材料科技有限公司 2023-05-30 CN claimed
CN-112105621-B Optically active bridged cyclic secondary amine derivatives 住友制药株式会社 2024-02-20 CN disclosed
CN-112771055-B Optically active bridged piperidine derivatives 住友制药株式会社 2023-10-20 CN disclosed
CN-112585140-B Optically active azabicyclo derivatives 住友制药株式会社 2023-07-04 CN disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 CN disclosed
CN-112771055-A Optically active bridged piperidine derivatives 大日本住友制药株式会社 2021-05-07 CN disclosed
WO-2021060453-A1 CROSSLINKED OPTICALLY ACTIVE SECONDARY AMINE DERIVATIVE 大日本住友製薬株式会社 2021-04-01 WO disclosed
CN-112585140-A Optically active azabicyclo derivatives 大日本住友制药株式会社 2021-03-30 CN disclosed
CN-112105621-A Optically active bridged cyclic secondary amine derivative 大日本住友制药株式会社 2020-12-18 CN disclosed
WO-2020045334-A1 OPTICALLY ACTIVE AZABICYCLIC DERIVATIVE 大日本住友製薬株式会社 2020-03-05 WO disclosed
WO-2020032105-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE 大日本住友製薬株式会社 2020-02-13 WO disclosed
WO-2019189732-A1 OPTICALLY ACTIVE CROSSLINKED CYCLIC SECONDARY AMINE DERIVATIVE 大日本住友製薬株式会社 2019-10-03 WO disclosed
US-20090118382-A1 Ion Exchange Material, Ion Exchange Column, and Production Method METROHM AG (CH) 2009-05-07 US disclosed
EP-1737863-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
WO-2005042533-A2 2-CYANOPYRROLIDINECARBOXAMIDES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS ASTELLAS PHARMA INC. (JP) 2005-05-12 WO disclosed
EP-1043999-A4 NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1043999-A1 NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-18 EP disclosed
WO-1999032117-A1 NOVEL SUBSTITUTED PYRIDINE COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS SIBIA NEUROSCIENCES, INC. (US) 1999-07-01 WO disclosed
US-5674905-A ADMINISTERING AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-10-07 US disclosed