SCHEMBL5789358

SCHEMBL5789358

Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 9/20 0.54
ALDH1A1 P00352 7/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
TP53 P04637 3/20 0.54
HTT P42858 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
THRB P10828 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL5788844 0.88 DPP4 (0.47) DPP4L3MBTL1MAPTALDH1A1LMNA
SCHEMBL5788088 0.88 ALDH1A1 (0.57) DPP4MAPTALDH1A1LMNANPSR1
SCHEMBL5789419 0.86 DPP4 (0.46) DPP4L3MBTL1MAPTALDH1A1LMNA
SCHEMBL5719678 0.85 DPP4 (0.68) DPP4L3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL6425184 0.85 DPP4 (0.56) DPP4L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5788811 0.85 ALDH1A1 (0.54) DPP4L3MBTL1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5719457 0.84 DPP4 (0.43) DPP4L3MBTL1MAPTALDH1A1LMNA
Acetic Acid SCHEMBL5719451 0.83 DPP4 (0.43) DPP4L3MBTL1MAPTALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5719464 0.82 DPP4 (0.42) DPP4L3MBTL1MAPTALDH1A1LMNA
SCHEMBL5789362 0.82 DPP4 (0.61) DPP4L3MBTL1ALDH1A1NPSR1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US claimed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP claimed
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US 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 DPP4 1/4885L3MBTL1 1200/4885MAPT 3970/4885

“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.