SCHEMBL6689943

SCHEMBL6689943

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2OC(=O)COC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.61
FAP Q12884 5/20 0.47
DPP9 Q86TI2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Acetic Acid SCHEMBL6689937 0.89 DPP4 (0.65) DPP4FAPDPP9L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL6383569 0.86 DPP4 (0.65) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5718963 0.86 DPP4 (0.67) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL6380855 0.84 DPP4 (0.73) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719030 0.84 DPP4 (0.65) DPP4FAPDPP9
Trifluoroacetic Acid SCHEMBL6383383 0.84 DPP4 (0.61) DPP4FAPDPP9L3MBTL1ALDH1A1
SCHEMBL5719174 0.84 DPP4 (0.64) DPP4FAPDPP9L3MBTL1ALDH1A1
Acetonitrile SCHEMBL6380038 0.83 DPP4 (0.65) DPP4FAPDPP9
SCHEMBL5718978 0.82 DPP4 (0.67) DPP4FAPDPP9
SCHEMBL5719216 0.82 DPP4 (0.61) DPP4FAPDPP9ALDH1A1

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 1 patent. 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 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 1/4885FAP 402/4885DPP9 2/4885

“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.