SCHEMBL1772608

SCHEMBL1772608

[CH2]c1nc(C2CC2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ACHE P22303 3/20 0.45
BCHE P06276 1/20 0.45
POLB P06746 1/20 0.41
PRKAA2 P54646 1/20 0.41
CHRNA7 P36544 1/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
OGG1 O15527 1/20 0.39
GPR3 P46089 1/20 0.38
LCK P06239 1/20 0.37
MAOA P21397 2/20 0.36
GLA P06280 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL30249575 0.78 L3MBTL1 (0.57) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL1772609 0.78 L3MBTL1 (0.53) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL12410052 0.78 L3MBTL1 (0.57) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL196600 0.76 GPR3 (0.59) TDP1ACHEPOLBHSD17B10ALDH1A1
SCHEMBL27555546 0.74 TDP1 (0.49) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL12409299 0.71 TDP1 (0.47) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL24930165 0.70 BCHE (0.49) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL4936203 0.70 PRKAA2 (0.51) L3MBTL1TDP1ACHEBCHEPOLB
SCHEMBL28263786 0.70 L3MBTL1 (0.66) L3MBTL1TDP1ACHEBCHECHRNA7
SCHEMBL6489161 0.70 POLB (0.61) L3MBTL1ACHEBCHEPOLBHSD17B10

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
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 claimed
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 claimed
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 claimed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN claimed
JP-4733058-B2 2011-07-27 JP claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP disclosed
EP-2190434-B1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2019-04-17 EP disclosed
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-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 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 (3 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 3702/4885TDP1 362/4885ACHE 207/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 L3MBTL1 3625/4885TDP1 313/4885ACHE 196/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 L3MBTL1 3487/4885TDP1 236/4885ACHE 4763/4885

“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.