SCHEMBL3972598

SCHEMBL3972598

COc1cc(OC)c2ccccc2c1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.41
EP300 Q09472 2/20 0.40
KAT8 Q9H7Z6 1/20 0.40
TTR P02766 1/20 0.40
SLC2A1 P11166 1/20 0.40
NQO1 P15559 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4060821 0.81 SLC2A1 (0.43) IDO1EP300KAT8SLC2A1NQO1
SCHEMBL809871 0.80 L3MBTL1 (0.37) L3MBTL1IDO1EP300TTRNQO1
SCHEMBL6168751 0.78 HPGDS (0.42) L3MBTL1TTRSLC2A1LMNAHPGD
SCHEMBL4698919 0.76 MAPT (0.58) L3MBTL1SMN1; SMN2MAPT
SCHEMBL15413803 0.75 XIAP (0.36) L3MBTL1IDO1LMNAHPGDMAPT
SCHEMBL4257999 0.75 CYP3A4 (0.50) L3MBTL1SLC2A1MAPTKDM4EALDH1A1
SCHEMBL905388 0.74 PKM (0.49) IDO1EP300KAT8TTRSLC2A1
Methylamine SCHEMBL28245020 0.74 MAPT (0.56) L3MBTL1SMN1; SMN2MAPT
SCHEMBL19999173 0.72 CA12 (0.52) IDO1EP300KAT8NQO1CA1
SCHEMBL17013395 0.72 KDM4E (0.42) L3MBTL1IDO1EP300KAT8SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP disclosed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
CN-1980930-B 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT 2012-11-21 CN disclosed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
CN-1980930-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-13 CN disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO 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 (2 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-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 L3MBTL1 3702/4885IDO1 432/4885EP300 2356/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 L3MBTL1 3625/4885IDO1 193/4885EP300 2779/4885

“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.