SCHEMBL5718928

SCHEMBL5718928

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.38
ADORA2B P29275 6/20 0.33
KCNH2 Q12809 2/20 0.32
GNRHR P30968 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL5719008 0.96 DPP4 (0.34) DPP4ADORA2BKCNH2ADORA3TSHR
SCHEMBL5719189 0.93 DPP4 (0.37) DPP4KCNH2TSHRSMN1; SMN2
SCHEMBL5719577 0.92 DPP4 (0.35) DPP4KCNH2HPGD
SCHEMBL5719344 0.91 DPP4 (0.33) DPP4ADORA2BGNRHRTSHRSMN1; SMN2
SCHEMBL5718953 0.90 DPP4 (0.35) DPP4KCNH2SMN1; SMN2
SCHEMBL5719570 0.90 KCNJ1 (0.36) DPP4KCNH2
SCHEMBL5719273 0.90 DPP4 (0.32) DPP4KCNH2
SCHEMBL5719144 0.90 DPP4 (0.43) DPP4KCNH2
SCHEMBL5719298 0.89 HTR2C (0.35) DPP4ADORA2BKCNH2SMN1; SMN2
SCHEMBL5719084 0.89 DPP4 (0.36) 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 1/4885ADORA2B 269/4885KCNH2 1102/4885

“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.