SCHEMBL5774800

SCHEMBL5774800

Cn1c(=O)c2c(nc(N3CCNCC3)n2-c2ccccc2Cl)n(CC(=O)OC(=O)C(F)(F)F)c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NUDT5 Q9UKK9 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
FAP Q12884 2/20 0.36
HTR2C P28335 1/20 0.36

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 SCHEMBL5719127 0.91 DPP4 (0.49) DPP4L3MBTL1ALDH1A1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL5718920 0.89 DPP4 (0.51) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5770482 0.89 DPP4 (0.42) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5773382 0.88 DPP4 (0.43) DPP4L3MBTL1ALDH1A1NPSR1LMNA
Trifluoroacetic Acid SCHEMBL5719504 0.87 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5792563 0.87 DPP4 (0.56) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5772367 0.86 DPP4 (0.45) DPP4L3MBTL1ALDH1A1NPSR1TSHR
Trifluoroacetic Acid SCHEMBL6692692 0.84 LMNA (0.49) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5718922 0.84 DPP4 (0.46) DPP4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL5718995 0.83 DPP4 (0.44) DPP4L3MBTL1ALDH1A1NPSR1LMNA

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 2 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

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-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885L3MBTL1 4196/4885ALDH1A1 3230/4885

“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.