SCHEMBL1241264

SCHEMBL1241264

COc1ccc(Cn2c(OC3CCNCC3)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.67
PDE4A P27815 11/20 0.67
PDE4B Q07343 11/20 0.67
PDE4C Q08493 11/20 0.67
PDE4D Q08499 11/20 0.67
ADORA3 P0DMS8 8/20 0.57

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
Fumaric Acid SCHEMBL7437475 0.93 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
Maleic Acid SCHEMBL7437465 0.93 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7432167 0.81 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7436549 0.81 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7392696 0.81 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7389735 0.78 PDE5A (0.69) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7397039 0.76 PDE5A (0.66) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7440118 0.74 PDE5A (0.72) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7451032 0.74 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7390028 0.74 PDE4A (0.92) PDE5APDE4APDE4BPDE4CPDE4D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778690-B1 Substituted 8-aminoalkoxi-xanthines, method for the production thereof and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2012-08-22 EP claimed
US-7879864-B2 dipeptidyl peptidase IV inhibitors such as 8-(2-Amino-2-methylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione, used for the treatment of elevated blood glucose levels and metabolic disorders; antidiabetic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-02-01 US claimed
US-20070299090-A1 SUBSTITUTED 8-AMINOALKOXY-XANTHINE COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US claimed
EP-1778690-A1 SUBSTITUTED 8-AMINOALKOXI-XANTHINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP claimed
WO-2006018117-A1 SUBSTITUTED 8-AMINOALKOXI-XANTHINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO claimed
EP-1778690-B1 Substituted 8-aminoalkoxi-xanthines, method for the production thereof and use thereof as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2012-08-22 EP disclosed
US-7879864-B2 dipeptidyl peptidase IV inhibitors such as 8-(2-Amino-2-methylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione, used for the treatment of elevated blood glucose levels and metabolic disorders; antidiabetic agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-02-01 US disclosed
US-20070299090-A1 SUBSTITUTED 8-AMINOALKOXY-XANTHINE COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
EP-1778690-A1 SUBSTITUTED 8-AMINOALKOXI-XANTHINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP disclosed
WO-2006018117-A1 SUBSTITUTED 8-AMINOALKOXI-XANTHINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-23 WO disclosed
EP-0550570-A1 XANTHINE DERIVATIVES Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005175-A1 XANTHINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-02 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 (1 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-20070299090-A1 SUBSTITUTED 8-AMINOALKOXY-XANTHINE COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES DPP8, DPP4, DPP7 PDE5A 554/4885PDE4A 258/4885PDE4B 401/4885

“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.