SCHEMBL5719361

SCHEMBL5719361

COc1ccccc1-n1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)n(CC(=O)O)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.45
HTR7 P34969 1/20 0.43
HTR1A P08908 4/20 0.43
HTR2A P28223 4/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 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
SCHEMBL5719291 0.91 LMNA (0.53) L3MBTL1HTR7TP53ALDH1A1LMNA
SCHEMBL5719021 0.83 L3MBTL1 (0.42) L3MBTL1ATMALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL5718991 0.82 DPP4 (0.47) L3MBTL1ATMHTR1AHTR2AALDH1A1
SCHEMBL5719278 0.82 MAOB (0.46) L3MBTL1HTR7ALDH1A1LMNATSHR
SCHEMBL5719498 0.81 L3MBTL1 (0.49) L3MBTL1TP53ALDH1A1DRD2
SCHEMBL5719352 0.79 HTR2A (0.45) L3MBTL1HTR2AALDH1A1LMNATSHR
SCHEMBL5719167 0.79 ATM (0.39) L3MBTL1ATMTP53ALDH1A1LMNA
SCHEMBL5718930 0.78 ALDH1A1 (0.47) L3MBTL1HTR2AALDH1A1LMNATSHR
SCHEMBL5719246 0.78 L3MBTL1 (0.45) L3MBTL1HTR2AALDH1A1TSHRNPSR1
SCHEMBL5789175 0.78 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNA

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 1200/4885ATM 3768/4885HTR7 1007/4885

“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.