SCHEMBL5719344

SCHEMBL5719344

CC(C)=CCN1c2c(n(CC(=O)C(C)(C)C)c(=O)n(CCc3ccccc3)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.33
ADORA2B P29275 7/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GNRHR P30968 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
SCHEMBL5718928 0.91 DPP4 (0.38) DPP4ADORA2BTSHRSMN1; SMN2GNRHR
SCHEMBL5719418 0.90 DPP4 (0.38) DPP4
SCHEMBL5719035 0.87 CYP1A2 (0.41) DPP4ADORA2BTSHR
SCHEMBL5719008 0.86 DPP4 (0.34) DPP4ADORA2BTSHRSMN1; SMN2
SCHEMBL5719355 0.86 DPP4 (0.33) DPP4
SCHEMBL5719189 0.84 DPP4 (0.37) DPP4TSHRSMN1; SMN2
SCHEMBL5719577 0.83 DPP4 (0.35) DPP4
SCHEMBL5719144 0.82 DPP4 (0.43) DPP4
SCHEMBL5718953 0.81 DPP4 (0.35) DPP4SMN1; SMN2
SCHEMBL5719570 0.81 KCNJ1 (0.36) DPP4

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 1/4885ADORA2B 269/4885TSHR 2113/4885

“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.