SCHEMBL5718922

SCHEMBL5718922

Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(OC(=O)COC(=O)C(F)(F)F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 4/20 0.39
NUDT5 Q9UKK9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
HTR2C P28335 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
MAOB P27338 1/20 0.33
ADRB1 P08588 1/20 0.33

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
Acetic Acid SCHEMBL5718916 0.89 DPP4 (0.47) DPP4L3MBTL1ALDH1A1NUDT5NPSR1
SCHEMBL6383694 0.89 DPP4 (0.40) DPP4L3MBTL1ALDH1A1NUDT5NPSR1
SCHEMBL5719461 0.89 DPP4 (0.40) DPP4L3MBTL1ALDH1A1NPSR1CYP3A4
Acetic Acid Methyl Ester SCHEMBL5719126 0.88 DPP4 (0.46) DPP4L3MBTL1ALDH1A1NUDT5NPSR1
SCHEMBL5719535 0.86 DPP4 (0.40) DPP4L3MBTL1ALDH1A1NPSR1GAA
SCHEMBL5774800 0.84 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NUDT5NPSR1
SCHEMBL6414873 0.82 DPP4 (0.40) DPP4L3MBTL1ALDH1A1NUDT5GAA
Acetic Acid SCHEMBL5719451 0.80 DPP4 (0.43) DPP4L3MBTL1ALDH1A1NPSR1CYP3A4
Trifluoroacetic Acid SCHEMBL6384005 0.80 DPP4 (0.47) DPP4L3MBTL1ALDH1A1NUDT5NPSR1
Trifluoroacetic Acid SCHEMBL5719127 0.79 DPP4 (0.49) DPP4L3MBTL1ALDH1A1NUDT5NPSR1

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
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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 1/4885L3MBTL1 1200/4885ALDH1A1 112/4885

“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.