SCHEMBL5776754

SCHEMBL5776754

COc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C(OC(=O)C(F)(F)F)C(N)=O)c(=O)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
THRB P10828 1/20 0.38
HTR1A P08908 4/20 0.38
HTR2A P28223 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
FAP Q12884 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
DRD2 P14416 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD3 P35462 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADORA2A P29274 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
SCHEMBL5719316 0.90 DPP4 (0.44) DPP4L3MBTL1FAPALDH1A1
SCHEMBL5771953 0.84 DPP4 (0.44) DPP4HTR2AL3MBTL1FAPALDH1A1
Trifluoroacetic Acid SCHEMBL5719549 0.84 DPP4 (0.42) DPP4HTR1AHTR2AL3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL5719051 0.82 DPP4 (0.53) DPP4HTR1AHTR2AL3MBTL1ALDH1A1
SCHEMBL5719372 0.82 DPP4 (0.38) DPP4HTR2AL3MBTL1FAPALDH1A1
SCHEMBL5718995 0.81 DPP4 (0.44) DPP4HTR1AHTR2AL3MBTL1LMNA
Acetonitrile SCHEMBL5718839 0.80 DPP4 (0.40) DPP4HTR1AHTR2AL3MBTL1LMNA
Trifluoroacetic Acid SCHEMBL5718914 0.80 MEN1 (0.46) DPP4HTR1AHTR2AL3MBTL1LMNA
SCHEMBL5718813 0.80 DPP4 (0.52) DPP4HTR1AHTR2AL3MBTL1LMNA
SCHEMBL5789590 0.79 DPP4 (0.59) DPP4HTR1AHTR2AL3MBTL1LMNA

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 1/4885THRB 1295/4885HTR1A 2329/4885

“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.