SCHEMBL1542585

SCHEMBL1542585

CCOC(=O)Oc1nc2c(c3ccccc13)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
ACHE P22303 9/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 4/20 0.41
BCHE P06276 2/20 0.41
HPGD P15428 1/20 0.41
CACNB4 O00305 2/20 0.41
CACNA1A O00555 2/20 0.41
CACNA1G O43497 2/20 0.41
CACNG3 O60359 2/20 0.41
CACNA1F O60840 2/20 0.41
CACNA1H O95180 2/20 0.41
CACNB3 P54284 2/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNG7 P62955 2/20 0.41

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
SCHEMBL637970 0.79 HSD17B10 (0.51) HSD17B10ACHEKDM4EALDH1A1MAPT
SCHEMBL12336195 0.71 ALDH1A1 (0.48) HSD17B10ACHEKDM4EALDH1A1MAPT
SCHEMBL1542274 0.70 ACHE (0.38) HSD17B10ACHEKDM4EALDH1A1MAPT
SCHEMBL3263193 0.69 ACHE (0.50) HSD17B10ACHEKDM4EALDH1A1LMNA
SCHEMBL13409365 0.68 BCHE (0.43) HSD17B10ACHEKDM4EALDH1A1MAPT
SCHEMBL25795846 0.68 BCHE (0.51) HSD17B10ACHEKDM4EALDH1A1LMNA
SCHEMBL25771767 0.68 BCHE (0.51) HSD17B10ACHEKDM4EALDH1A1LMNA
SCHEMBL30004235 0.67 TSHR (0.48) HSD17B10KDM4EALDH1A1MAPTTP53
SCHEMBL19583350 0.67 TSHR (0.48) HSD17B10KDM4EALDH1A1MAPTTP53
SCHEMBL23271759 0.66 TYMS (0.58) KDM4EALDH1A1LMNAPOLBHPGD

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 11 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-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP disclosed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 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-1562946-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-08-17 EP disclosed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 WO disclosed