SCHEMBL5718804

SCHEMBL5718804

CC(C)=CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(=O)n(COC(=O)C(C)(C)C)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.37
KCNH2 Q12809 2/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIT P10721 1/20 0.32
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL5719063 0.86 DPP4 (0.37) DPP4KCNH2ACHE
SCHEMBL5719268 0.84 DPP4 (0.44) DPP4KCNH2MEN1KMT2AMAPK1
SCHEMBL2957517 0.79 MAPT (0.43) ACHEMEN1KMT2ANAMPTGAA
SCHEMBL5718814 0.79 LMNA (0.43) DPP4KCNH2KMT2AMAPK1GAA
SCHEMBL5719583 0.79 ACHE (0.38) ACHEMEN1KMT2ANAMPTGAA
SCHEMBL5719105 0.76 MAPK1 (0.60) DPP4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6384576 0.76 DPP4 (0.40) DPP4CHRM1
SCHEMBL5718867 0.75 ALDH1A1 (0.52) DPP4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5718881 0.73 DPP4 (0.54) DPP4KCNH2MEN1KMT2AMAPK1
SCHEMBL5719594 0.72 GAA (0.41) DPP4KCNH2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 DPP4 1/4885KCNH2 1102/4885ACHE 1693/4885

“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.