SCHEMBL5719035

SCHEMBL5719035

CC(C)=CCN1c2c(n(CC3CCCO3)c(=O)n(CCc3ccccc3)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
CYP3A4 P08684 6/20 0.41
CYP2C9 P11712 5/20 0.41
ADORA2B P29275 2/20 0.41
CYP2C8 P10632 1/20 0.41
ALDH1A1 P00352 10/20 0.36
DPP4 P27487 1/20 0.34
HSD17B10 Q99714 6/20 0.33
TSHR P16473 6/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
GAA P10253 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 5/20 0.33
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
USP2 O75604 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL5718910 0.90 TSHR (0.43) ALDH1A1DPP4HSD17B10TSHRMAPK1
SCHEMBL5719138 0.88 DPP4 (0.32) ALDH1A1DPP4KMT2A
SCHEMBL5718928 0.87 DPP4 (0.38) ADORA2BDPP4TSHRHPGDADORA3
SCHEMBL5719344 0.87 DPP4 (0.33) ADORA2BDPP4TSHR
SCHEMBL5719008 0.83 DPP4 (0.34) ADORA2BALDH1A1DPP4HSD17B10TSHR
SCHEMBL5719189 0.81 DPP4 (0.37) ALDH1A1DPP4TSHRGAACYP2C19
SCHEMBL5719577 0.80 DPP4 (0.35) CYP1A2CYP3A4CYP2C9ALDH1A1DPP4
SCHEMBL5719273 0.80 DPP4 (0.32) DPP4
SCHEMBL5718953 0.78 DPP4 (0.35) ALDH1A1DPP4LMNAMEN1KMT2A
SCHEMBL5719570 0.78 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 CYP1A2 844/4885CYP3A4 64/4885CYP2C9 238/4885

“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.