SCHEMBL5718930

SCHEMBL5718930

Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2CO)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
DPP4 P27487 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.42
HTR2A P28223 1/20 0.42
HIF1A Q16665 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL5719246 0.89 L3MBTL1 (0.45) ALDH1A1TSHRNPSR1MEN1MAPT
SCHEMBL5719352 0.87 HTR2A (0.45) ALDH1A1TSHRNPSR1LMNAUSP2
SCHEMBL5718982 0.86 HTR2A (0.42) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL5718837 0.85 HTR2A (0.41) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL5719569 0.85 L3MBTL1 (0.42) ALDH1A1TSHRLMNAUSP2MAPT
SCHEMBL5719278 0.84 MAOB (0.46) ALDH1A1TSHRNPSR1LMNAUSP2
SCHEMBL5719240 0.84 HTR2A (0.40) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL5719239 0.84 HTR2A (0.40) ALDH1A1TSHRLMNAMAPTL3MBTL1
SCHEMBL5719021 0.81 L3MBTL1 (0.42) ALDH1A1TSHRNPSR1LMNAMEN1
SCHEMBL5719186 0.80 L3MBTL1 (0.44) ALDH1A1TSHRNPSR1MEN1MAPT

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 ALDH1A1 112/4885TSHR 2113/4885NPSR1 871/4885

“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.