SCHEMBL1243471

SCHEMBL1243471

CCn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(OCCN)n2CC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.64
CHRM1 P11229 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
KCNH2 Q12809 1/20 0.47
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1241105 0.90 DPP4 (0.78) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1241140 0.89 DPP4 (0.62) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1243477 0.86 DPP4 (0.77) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL5463563 0.80 DPP4 (0.57) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1243467 0.78 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1242729 0.78 DPP4 (0.73) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1241094 0.78 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1241087 0.78 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1241130 0.78 DPP4 (1.00) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1241137 0.78 DPP4 (0.75) DPP4CHRM1CHRM2CHRM3KCNH2

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 3 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 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

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 DPP4 2/4885CHRM1 3312/4885CHRM2 2437/4885

“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.