SCHEMBL5719233

SCHEMBL5719233

Cn1c(=O)c2c(nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2-c2ccccc2Cl)n(CC=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HIF1A Q16665 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL5719021 0.90 L3MBTL1 (0.42) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5719186 0.89 L3MBTL1 (0.44) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5719246 0.88 L3MBTL1 (0.45) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5718793 0.88 MEN1 (0.42) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL2952792 0.88 L3MBTL1 (0.42) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5719230 0.84 CNR1 (0.41) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5719260 0.83 CNR1 (0.41) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL2959131 0.81 CNR1 (0.41) L3MBTL1GAACNR1CNR2MAPT
SCHEMBL5718982 0.80 HTR2A (0.42) L3MBTL1MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL5718930 0.80 ALDH1A1 (0.47) L3MBTL1GAAMAPTMEN1KMT2A

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 L3MBTL1 1200/4885GAA 2197/4885CNR1 1472/4885

“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.