SCHEMBL5718809

SCHEMBL5718809

C=CCN1c2c(n(C)c(=O)n(CC(=O)c3ccccc3)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.37
KCNH2 Q12809 2/20 0.34
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PARG Q86W56 1/20 0.30

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
SCHEMBL5719144 0.93 DPP4 (0.43) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL5719674 0.89 DPP4 (0.35) DPP4ALDH1A1
SCHEMBL5718947 0.88
SCHEMBL5718866 0.87 DPP4 (0.40) DPP4KCNH2CHRM1
SCHEMBL5719364 0.87
SCHEMBL5719465 0.85 DPP4 (0.36) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL5719332 0.85 KDM4E (0.31) ALDH1A1
SCHEMBL5718841 0.84 DPP4 (0.33) DPP4
SCHEMBL5718990 0.84 DPP4 (0.38) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL5719520 0.84 DPP4 (0.52) DPP4KCNH2

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 1102/4885CHRM1 669/4885

“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.