SCHEMBL5771953

SCHEMBL5771953

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.37
NUDT5 Q9UKK9 1/20 0.34
FAP Q12884 3/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ADRB1 P08588 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL5719316 0.94 DPP4 (0.44) DPP4L3MBTL1ALDH1A1NUDT5FAP
SCHEMBL5719372 0.89 DPP4 (0.38) DPP4L3MBTL1ALDH1A1FAPHTR2A
SCHEMBL5776035 0.88 DPP4 (0.39) DPP4L3MBTL1ALDH1A1GAAHTT
SCHEMBL5718955 0.86 DPP4 (0.38) DPP4L3MBTL1ALDH1A1GAAHTT
SCHEMBL5776754 0.84 DPP4 (0.39) DPP4L3MBTL1ALDH1A1FAPADRB1
SCHEMBL5775989 0.81 DPP4 (0.46) DPP4L3MBTL1ALDH1A1NUDT5FAP
Acetic Acid SCHEMBL5718916 0.81 DPP4 (0.47) DPP4L3MBTL1ALDH1A1NUDT5ADRB1
SCHEMBL5774800 0.81 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NUDT5FAP
Acetic Acid Methyl Ester SCHEMBL5719126 0.80 DPP4 (0.46) DPP4L3MBTL1ALDH1A1NUDT5FAP
Trifluoroacetic Acid SCHEMBL5719504 0.79 DPP4 (0.50) DPP4L3MBTL1ALDH1A1NUDT5GAA

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.