SCHEMBL5789362

SCHEMBL5789362

CCc1ccccc1-n1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
NUDT5 Q9UKK9 1/20 0.42
HTR6 P50406 1/20 0.42
FAP Q12884 2/20 0.42
ADRB1 P08588 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
Trifluoroacetic Acid SCHEMBL5718943 0.92 DPP4 (0.54) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL5719678 0.88 DPP4 (0.68) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL5788851 0.86 DPP4 (0.49) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL5789427 0.85 DPP4 (0.49) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL6425184 0.84 DPP4 (0.56) DPP4L3MBTL1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5789358 0.82 DPP4 (0.60) DPP4L3MBTL1ALDH1A1SMN1; SMN2NPSR1
Trifluoroacetic Acid SCHEMBL5719141 0.80 DPP4 (0.57) DPP4L3MBTL1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5788811 0.80 ALDH1A1 (0.54) DPP4L3MBTL1ALDH1A1
SCHEMBL5792690 0.79 DPP4 (0.64) DPP4L3MBTL1ALDH1A1NPSR1GAA
SCHEMBL5792563 0.79 DPP4 (0.56) DPP4L3MBTL1ALDH1A1CYP3A4CYP2C9

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 1200/4885ALDH1A1 112/4885

“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.