SCHEMBL1542347

SCHEMBL1542347

Cc1cccc2ccc(=O)n(COCC[Si](C)(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
DGAT1 O75907 1/20 0.32
PDE10A Q9Y233 2/20 0.32
CASR P41180 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
F11 P03951 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1542331 0.84 NPC1 (0.36) NPC1DGAT1KMT2A
SCHEMBL4503124 0.77 ADRA2A (0.43) DGAT1PDE10ACASR
SCHEMBL637196 0.76 NPC1 (0.42) NPC1DGAT1KMT2AMAPT
SCHEMBL3066887 0.74 NPC1 (0.41) NPC1KMT2AMEN1MAPT
SCHEMBL12484330 0.73 NPC1 (0.41) NPC1DGAT1F11MAPT
SCHEMBL24211029 0.73 ADRA2A (0.44) NPC1DGAT1PDE10ACASR
SCHEMBL14800179 0.73 NPC1 (0.42) NPC1DGAT1KMT2AMAPT
SCHEMBL7815551 0.72 HRH3 (0.43) NPC1CASR
SCHEMBL17505199 0.71 CCNB2 (0.40) KMT2AMEN1TDP1L3MBTL1ATM
SCHEMBL30645867 0.71 NPC1 (0.40) NPC1DGAT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
EP-1532149-B9 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2011-04-20 EP disclosed
EP-2308878-A2 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-04-13 EP disclosed
EP-1532149-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-12-30 EP disclosed
EP-2070539-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-17 EP disclosed
EP-2060573-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-20 EP disclosed
EP-2058311-A2 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-13 EP disclosed
EP-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed