SCHEMBL5718995

SCHEMBL5718995

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAP Q12884 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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 SCHEMBL5719128 0.92 LMNA (0.47) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5719039 0.90 LMNA (0.55) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5718991 0.90 DPP4 (0.47) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5718914 0.88 MEN1 (0.46) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5719046 0.88 ALDH1A1 (0.49) DPP4LMNAALDH1A1TSHRNPSR1
SCHEMBL5789175 0.85 ALDH1A1 (0.53) DPP4LMNAALDH1A1FAPL3MBTL1
Trifluoroacetic Acid SCHEMBL5719514 0.85 ALDH1A1 (0.52) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5719382 0.85 ADORA1 (0.50) DPP4FAPL3MBTL1
Trifluoroacetic Acid SCHEMBL5718843 0.85 DPP4 (0.47) DPP4LMNAALDH1A1TSHRNPSR1
Trifluoroacetic Acid SCHEMBL5719051 0.84 DPP4 (0.53) DPP4ALDH1A1L3MBTL1HTR1AHTR2A

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 4 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
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP 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 1/4885LMNA 4075/4885ALDH1A1 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.