SCHEMBL637652

SCHEMBL637652

CC#CCn1c(Br)nc2c1c(=O)n(CC(=O)c1ccccc1[N+](=O)[O-])c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.58
LMNA P02545 5/20 0.46
CHRM1 P11229 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL27771295 0.86 LMNA (0.56) DPP4LMNASMN1; SMN2MEN1CYP2C9
SCHEMBL637113 0.86 DPP4 (0.51) DPP4LMNACHRM1SMN1; SMN2MEN1
SCHEMBL638222 0.86 LMNA (0.52) DPP4LMNACHRM1SMN1; SMN2MEN1
SCHEMBL638030 0.85 DPP4 (0.52) DPP4LMNACHRM1SMN1; SMN2MEN1
SCHEMBL1542088 0.85 GAA (0.53) DPP4LMNASMN1; SMN2MEN1CYP2C9
SCHEMBL2749451 0.85 GAA (0.53) DPP4LMNASMN1; SMN2MEN1CYP2C9
SCHEMBL637295 0.84 SMN1; SMN2 (0.53) DPP4LMNACHRM1SMN1; SMN2MEN1
SCHEMBL637777 0.82 DPP4 (0.47) DPP4LMNASMN1; SMN2MEN1CYP2C9
SCHEMBL638365 0.80 DPP4 (0.46) DPP4LMNACHRM1SMN1; SMN2MEN1
SCHEMBL555735 0.78 DPP4 (0.49) DPP4LMNACHRM1TSHRNPSR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-07-07 US disclosed
US-9321791-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-10-15 US disclosed
US-9108964-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-18 US disclosed
CN-101503409-A 8-(3-amino-piperidin-1-yl)-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 CN disclosed
CN-101503408-A 8-(3-amino-piperidin-1-yl)-xanthines BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 CN disclosed
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-7495005-B2 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-16 US disclosed
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-10-09 US disclosed
US-7407955-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-08-05 US disclosed
CN-1675212-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, process for their preparation and their use as pharmaceutical preparations BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 CN disclosed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US disclosed
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-20 US 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 (12 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3112/4885CHRM1 993/4885
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA DPP4 55/4885LMNA 2845/4885CHRM1 117/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS XDH, CALCRL, GPR119 DPP4 68/4885LMNA 2897/4885CHRM1 54/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3112/4885CHRM1 993/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3689/4885CHRM1 905/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 DPP4 2/4885LMNA 3202/4885CHRM1 1130/4885

“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.