SCHEMBL637320

SCHEMBL637320

CC(=O)c1cccc2oc(=O)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
CA9 Q16790 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CA12 O43570 2/20 0.42
CYP1A2 P05177 1/20 0.42
NT5E P21589 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.37
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 1/20 0.37
MAPK1 P28482 2/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL3552088 0.87 ALDH1A1 (0.38) MAOBCA9KDM4ECA12CYP1A2
SCHEMBL637681 0.83 PTPN1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2CBX7
SCHEMBL3484179 0.79 MAPT (0.41) MAOBKDM4ECYP1A2ALDH1A1HPGD
SCHEMBL3354467 0.77 POLB (0.41) CYP1A2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5541190 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2PKM
SCHEMBL5537338 0.75 JAK2 (0.39) MAOBKDM4EALDH1A1HPGDLMNA
SCHEMBL5543644 0.75 MEN1 (0.38) CYP1A2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL638426 0.75 MAOB (0.40) MAOBCA9KDM4ECA12CYP1A2
SCHEMBL639153 0.72 NPC1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL14199897 0.72 TSHR (0.37) CYP1A2ALDH1A1HPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US claimed
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
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
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-07-07 US disclosed
US-9321791-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US 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-1720875-B1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-12-10 EP disclosed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US disclosed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US disclosed
US-7407955-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-08-05 US disclosed
EP-1720875-A1 8- [3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-15 EP disclosed
WO-2005082906-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO disclosed
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-25 US disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US 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 (10 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 637/4885CA9 659/4885KDM4E 779/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 637/4885CA9 659/4885KDM4E 779/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAOB 472/4885CA9 1098/4885KDM4E 1974/4885
US-20050187227-A1 8-[3-Amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical composition DPP8, DPP4, DPP7 MAOB 615/4885CA9 751/4885KDM4E 1025/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 MAOB 565/4885CA9 678/4885KDM4E 829/4885

“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.