SCHEMBL3967007

SCHEMBL3967007

COc1cc(CBr)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALOX15 P16050 2/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
PDE10A Q9Y233 7/20 0.51
SLC2A1 P11166 1/20 0.50
POLB P06746 3/20 0.46
NQO2 P16083 2/20 0.46
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
RAD52 P43351 1/20 0.43
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
ACACA Q13085 1/20 0.42

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
SCHEMBL8290938 0.85 LMNA (0.58) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL7068027 0.83 ALOX15 (0.58) LMNAHPGDSMN1; SMN2ALOX15KDM4E
Chimanine A SCHEMBL8588818 0.82 HPGD (0.59) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL2334699 0.82 LMNA (0.59) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL4390702 0.81 LMNA (0.54) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL31587740 0.80 LMNA (0.56) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL5421698 0.80 LMNA (0.53) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL27701422 0.80 ALOX15 (0.61) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL951984 0.78 LMNA (0.55) LMNAHPGDSMN1; SMN2ALOX15KDM4E
SCHEMBL1810765 0.77 SMN1; SMN2 (0.62) LMNAHPGDSMN1; SMN2ALOX15KDM4E

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-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
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
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 LMNA 2911/4885HPGD 2402/4885SMN1; SMN2 2069/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 LMNA 1878/4885HPGD 2630/4885SMN1; SMN2 1725/4885

“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.