SCHEMBL5719356

SCHEMBL5719356

Cn1c(=O)n(COC(=O)C(C)(C)C)c(=O)c2c1nc(N1CCN(C(=O)OC(C)(C)C)CC1)n2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
NPSR1 Q6W5P4 6/20 0.55
TSHR P16473 5/20 0.55
LMNA P02545 4/20 0.55
DPP4 P27487 5/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 2/20 0.50
RECQL P46063 1/20 0.50
HIF1A Q16665 1/20 0.49
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
USP2 O75604 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5719592 0.86 ALDH1A1 (0.76) ALDH1A1NPSR1TSHRLMNADPP4
SCHEMBL5719669 0.82 LMNA (0.37) ALDH1A1NPSR1TSHRLMNADPP4
SCHEMBL6425261 0.82 ALDH1A1 (0.52) ALDH1A1NPSR1TSHRLMNADPP4
SCHEMBL5719159 0.79 POLB (0.67) ALDH1A1NPSR1TSHRDPP4MAPT
SCHEMBL2952792 0.79 L3MBTL1 (0.42) ALDH1A1NPSR1TSHRDPP4MAPT
SCHEMBL2959131 0.79 CNR1 (0.41) TSHRMAPTTHRBMEN1KMT2A
SCHEMBL5719040 0.79 DPP4 (0.42) DPP4
SCHEMBL5719268 0.78 DPP4 (0.44) ALDH1A1LMNADPP4MAPK1SMN1; SMN2
SCHEMBL554937 0.77 DPP4 (0.65) ALDH1A1LMNADPP4HIF1A
SCHEMBL5718924 0.76 BACE1 (0.41) LMNAMAPTSMN1; SMN2TP53THRB

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 ALDH1A1 112/4885NPSR1 871/4885TSHR 2113/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ALDH1A1 3230/4885NPSR1 1600/4885TSHR 936/4885

“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.