SCHEMBL637460

SCHEMBL637460

Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2Br)n(C)c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 3/20 0.67
PCSK9 Q8NBP7 1/20 0.65
HTT P42858 2/20 0.62
MAOB P27338 3/20 0.59
ADORA2A P29274 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CNR2 P34972 1/20 0.56
GPR18 Q14330 1/20 0.56
RECQL P46063 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
DPP4 P27487 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL1542286 0.88 TSHR (0.78) TSHRLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL4667083 0.86 PCSK9 (0.64) TSHRLMNAPCSK9HTTADORA2A
SCHEMBL1457597 0.85 ALDH1A1 (0.62) TSHRLMNAHTTMAOBADORA2A
SCHEMBL1457365 0.85 HTT (0.62) TSHRLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL556698 0.84 ALDH1A1 (0.68) TSHRLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL555173 0.83 HTT (0.78) TSHRLMNAPCSK9HTTSMN1; SMN2
SCHEMBL555383 0.82 DPP4 (0.61) TSHRLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL555468 0.81 HTT (0.58) TSHRLMNAHTTSMN1; SMN2CYP1A2
SCHEMBL8353071 0.81 ALDH1A1 (0.74) TSHRLMNAPCSK9HTTMAOB
SCHEMBL24770694 0.79 PCSK9 (1.00) TSHRLMNAPCSK9HTTSMN1; 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 45 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
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP 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-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV KANSTRUP ANDERS B (DK) 2005-07-07 US disclosed
US-6869947-B2 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-03-22 US disclosed
EP-1496877-A2 METHOD AND COMPOSITION FOR TREATMENT OF DIABETES, HYPERTENSION, CHRONIC HEART FAILURE AND FLUID RETENTIVE STATES NOVO NORDISK A/S (DK) 2005-01-19 EP 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
WO-2004033455-A2 HEMISUCCINATE SALTS OF HETEROCYCLIC DPP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-04-22 WO disclosed
EP-1404675-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2004-04-07 EP disclosed
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states NOVO NORDISK A/S (DK) 2003-12-25 US disclosed
WO-2003057200-A2 COMPOSITIONS COMPRISING INHIBITORS OF DPP-IV AND NEP ENZYMES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-07-17 WO disclosed
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2003-06-05 US disclosed
WO-2003004496-A1 DPP-IV-INHIBITING PURINE DERIVATIVES FOR THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2003-01-16 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 (11 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 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20050148606-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3409/4885LMNA 4238/4885PCSK9 119/4885
US-20030105077-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 TSHR 3634/4885LMNA 4341/4885PCSK9 162/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20030236272-A1 Method and composition for treatment of diabetes, hypertension, chronic heart failure and fluid retentive states DPP4, GIPR, GLP1R TSHR 918/4885LMNA 1750/4885PCSK9 44/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20150291627-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885
US-20040097510-A1 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 TSHR 2526/4885LMNA 3689/4885PCSK9 167/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 TSHR 2256/4885LMNA 3202/4885PCSK9 131/4885

“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.