SCHEMBL5718837

SCHEMBL5718837

C=Cc1ccccc1-n1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1A P08908 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5718982 0.92 HTR2A (0.42) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5719240 0.90 HTR2A (0.40) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5719239 0.90 HTR2A (0.40) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5719669 0.88 LMNA (0.37) L3MBTL1MAOBSMN1; SMN2MAPTALDH1A1
SCHEMBL5719876 0.87 LMNA (0.45) HTR2AL3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL5719246 0.87 L3MBTL1 (0.45) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5775319 0.86 GAA (0.48) L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5719352 0.86 HTR2A (0.45) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5718930 0.85 ALDH1A1 (0.47) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT
SCHEMBL5719569 0.84 L3MBTL1 (0.42) HTR2AL3MBTL1MAOBSMN1; SMN2MAPT

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 6 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
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 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 (2 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 HTR2A 1359/4885L3MBTL1 1200/4885MAOB 996/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 HTR2A 1018/4885L3MBTL1 4196/4885MAOB 4207/4885

“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.