SCHEMBL3715845

SCHEMBL3715845

OC1CCN2CCC3C=CC=CC3=C2C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
PBRM1 Q86U86 1/20 0.30

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
SCHEMBL16741919 0.75 CHRM3 (0.30)
Iodide SCHEMBL7846998 0.69
SCHEMBL30752302 0.66
SCHEMBL11518996 0.62
SCHEMBL8023877 0.62
SCHEMBL12494103 0.59
SCHEMBL8844169 0.58 HRH3 (0.32)
SCHEMBL11751363 0.55 LMNA (0.37)
SCHEMBL23037243 0.55 PBRM1 (0.57) SMARCA2SMARCA4PBRM1
SCHEMBL31179821 0.55 PBRM1 (0.57) SMARCA2SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019074492-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2019-04-18 WO claimed
EP-3394057-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) Neurocrine Biosciences Inc. (US) 2018-10-31 EP claimed
WO-2018140093-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2018-08-02 WO claimed
WO-2018140092-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2018-08-02 WO claimed
WO-2018140096-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2018-08-02 WO claimed
WO-2018140095-A2 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2018-08-02 WO claimed
WO-2018140094-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS OBRIEN CHRISTOPHER F (US) 2018-08-02 WO claimed
WO-2017112857-A1 SYNTHETIC METHODS FOR PREPARATION OF (S)-(2R,3R,11BR)-3-ISOBUTYL-9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRIDO[2,1,-A]lSOQUINOLIN-2-YL 2-AMINO-3-METHYLBUTANOATE DI(4-METHYLBENZENESULFONATE) NEUROCRINE BIOSCIENCES, INC. (US) 2017-06-29 WO claimed
EP-3102239-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ANTIPSYCHOTIC DRUG AND A VMAT2 INHIBITOR AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2016-12-14 EP claimed
WO-2015120317-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ANTIPSYCHOTIC DRUG AND A VMAT2 INHIBITOR AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2015-08-13 WO claimed
EP-3836926-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS Neurocrine Biosciences, Inc. (US) 2021-06-23 EP disclosed
WO-2020227672-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. (US) 2020-11-12 WO disclosed
EP-3706748-A1 ESTERS OF DIHYDROTETRABENAZINE Foresee Pharmaceuticals Co., Ltd. (CN) 2020-09-16 EP disclosed
WO-2020037022-A1 METHODS FOR THE ADMINISTRATION OF CERTAIN VMAT2 INHIBITORS NEUROCRINE BIOSCIENCES, INC. (US) 2020-02-20 WO disclosed
EP-3548027-A1 USE OF VALBENAZINE FOR TREATING SCHIZOPHRENIA OR SCHIZOAFFECTIVE DISORDER NEUROCRINE BIOSCIENCES, INC. (US) 2019-10-09 EP disclosed
WO-2015048370-A1 BENZOQUINOLONE INHIBITORS OF VMAT2 AUSPEX PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
EP-2217599-A1 ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES General Electric Company (US) 2010-08-18 EP disclosed
EP-2081929-A1 SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDOÝ2,1-A¨ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2009-07-29 EP disclosed
WO-2009070552-A1 ALPHA-FLUOROALKYL TETRABENAZINE AND DIHYDROTETRABENAZINE IMAGING AGENTS AND PROBES GENERAL ELECTRIC COMPANY (US) 2009-06-04 WO disclosed
WO-2008058261-A1 SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A] ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-05-15 WO disclosed