SCHEMBL3972411

SCHEMBL3972411

N#Cc1cc(CBr)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
NCOA3 Q9Y6Q9 1/20 0.41
DYRK1A Q13627 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ELANE P08246 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 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
SCHEMBL29219378 0.83 HTT (0.47) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL6765981 0.81 ESR1 (0.39) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL3967055 0.80 HTT (0.40) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL10802144 0.77 ALDH1A1 (0.50) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL6768193 0.77 ELANE (0.43) HTTALDH1A1KDM4EGAALMNA
SCHEMBL3926944 0.75 ELANE (0.42) HTTALDH1A1KDM4EGAALMNA
SCHEMBL3295785 0.75 ALDH1A1 (0.52) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL2185260 0.74 ALDH1A1 (0.50) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL2639149 0.74 ALDH1A1 (0.50) HTTATML3MBTL1ALDH1A1KDM4E
SCHEMBL3396050 0.74 CYP1A2 (0.58) L3MBTL1ALDH1A1KDM4EGAALMNA

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 HTT 3572/4885ATM 4486/4885L3MBTL1 3702/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 HTT 3422/4885ATM 4605/4885L3MBTL1 3625/4885

“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.