SCHEMBL3973758

SCHEMBL3973758

O=C(CBr)c1cccc(OC2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.48
OPRK1 P41145 8/20 0.48
GSK3B P49841 2/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PARP10 Q53GL7 1/20 0.45
KCNH2 Q12809 4/20 0.44
OPRM1 P35372 4/20 0.44
EPHX2 P34913 3/20 0.44
PTPN1 P18031 2/20 0.44
GAA P10253 1/20 0.44
OPRD1 P41143 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
SCHEMBL3969375 0.94 OPRK1 (0.50) KAT6AOPRK1GSK3BKMT2AMEN1
SCHEMBL931435 0.81 EPHX2 (0.59) KAT6AOPRK1KMT2AMEN1PARP10
SCHEMBL3970957 0.80 PARP10 (0.53) KAT6AOPRK1KMT2AMEN1PARP10
SCHEMBL3967321 0.80 KAT6A (0.51) KAT6AOPRK1KMT2AMEN1PARP10
SCHEMBL20239540 0.80 EPHX2 (0.47) KAT6AOPRK1KMT2AMEN1EPHX2
SCHEMBL21509820 0.79 OPRK1 (0.53) KAT6AOPRK1KMT2AMEN1KCNH2
SCHEMBL30162751 0.78 EPHX2 (0.59) KAT6AOPRK1KMT2AMEN1KCNH2
SCHEMBL930213 0.78 EPHX2 (0.59) KAT6AOPRK1KMT2AMEN1KCNH2
SCHEMBL930973 0.77 MAOA (0.49) KAT6AOPRK1KMT2AMEN1EPHX2
SCHEMBL9005535 0.77 EPHX2 (0.57) KAT6AOPRK1KMT2AMEN1KCNH2

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 KAT6A 4533/4885OPRK1 436/4885GSK3B 317/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 KAT6A 4494/4885OPRK1 610/4885GSK3B 388/4885

“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.