SCHEMBL638166

SCHEMBL638166

COC(=O)c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
KDM4E B2RXH2 2/20 0.69
STAT3 P40763 1/20 0.69
HIF1A Q16665 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.66
CYP1A2 P05177 2/20 0.66
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
KMT2A Q03164 4/20 0.59
HTT P42858 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL13720557 0.83 POLB (1.00) POLBKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL27384818 0.81 POLB (0.52) POLBKDM4ESTAT3HIF1ASMN1; SMN2
SCHEMBL27384836 0.81 POLB (0.52) POLBKDM4ESTAT3HIF1ASMN1; SMN2
SCHEMBL29805260 0.81 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL498053 0.81 KDM4E (1.00) KDM4ESTAT3HIF1ASMN1; SMN2ALDH1A1
SCHEMBL30319401 0.81 KDM4E (0.63) POLBKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL13995824 0.81 KDM4E (0.63) POLBKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL23087166 0.80 ALDH1A1 (0.54) POLBKDM4ESTAT3HIF1ASMN1; SMN2
SCHEMBL11166564 0.80 CYP1A2 (0.49) POLBKDM4ESTAT3HIF1ASMN1; SMN2
SCHEMBL29735243 0.80 ALDH1A1 (0.54) POLBKDM4ESTAT3HIF1ASMN1; SMN2

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 26 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
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN disclosed
CN-105001222-B 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2017-11-07 CN 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
CN-101503409-B 8-(3-amino-piperidin-1-yl)-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2014-01-22 CN disclosed
CN-101503408-B 8-(3-amino-piperidin-1-yl)-xanthines BEOEHRINGER INGELHEIM PHARMA GMBH & CO KG 2013-04-24 CN disclosed
CN-102964347-A 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments BOEHRINGER INGELHEIM PHARMA 2013-03-13 CN disclosed
US-20120208831-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-08-16 US disclosed
US-8178541-B2 For therapy of type I and type 11 diabetes mellitus, arthritis, obesity, or calcitonin-induced osteoporosis, allograft transplantation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-15 US disclosed
US-8119648-B2 Arthritis, obesity, (non-insulin dependent) diabetes calcitonin-induced osteoporosis; administering allograft transplantation; dipeptidyl peptidase-IV (DPP-IV) inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-02-21 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
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 (10 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 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20080255159-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2869/4885KDM4E 779/4885STAT3 3463/4885
US-20120208831-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20080249089-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2869/4885KDM4E 779/4885STAT3 3463/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 POLB 2225/4885KDM4E 1974/4885STAT3 4109/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 POLB 2871/4885KDM4E 829/4885STAT3 3445/4885

“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.