SCHEMBL5790449

SCHEMBL5790449

O=C(Cc1ccccc1)n1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.52
POLB P06746 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 3/20 0.39
GAA P10253 2/20 0.38
PIM1 P11309 1/20 0.38
HTR6 P50406 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.38
PARP1 P09874 1/20 0.37
MAPK1 P28482 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
SCHEMBL5792179 0.85 DPP4 (0.53) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5719156 0.83 DPP4 (0.56) DPP4POLBSIRT5NPSR1MEN1
SCHEMBL5789315 0.83 DPP4 (0.50) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5718846 0.81 DPP4 (0.51) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5719531 0.81 DPP4 (0.49) DPP4POLBSIRT5NPSR1MEN1
SCHEMBL5792690 0.81 DPP4 (0.64) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5718959 0.80 DPP4 (0.50) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5719220 0.80 DPP4 (0.50) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5789025 0.80 DPP4 (0.48) DPP4POLBSIRT5NPSR1MEN1
Trifluoroacetic Acid SCHEMBL5718945 0.79 DPP4 (0.47) DPP4POLBSIRT5NPSR1MEN1

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 1/4885POLB 3415/4885SIRT5 1551/4885

“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.