SCHEMBL3749543

SCHEMBL3749543

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)C1CC2CCC(C1)N2C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.36
CMA1 P23946 12/20 0.36
DPP4 P27487 1/20 0.35
ACE P12821 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
KLK5 Q9Y337 1/20 0.34
CTRC Q99895 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL3743901 0.86 DPP4 (0.42) DPP4
SCHEMBL3747989 0.84 CHRM2 (0.43) CMA1ACEF2PRSS1KLK5
SCHEMBL3741700 0.83 AAK1 (0.40) AAK1DPP4ELANE
SCHEMBL8101422 0.82 DPP4 (0.45) CMA1DPP4ACECTRCELANE
SCHEMBL13045246 0.82 AAK1 (0.40) AAK1DPP4ELANE
SCHEMBL3800885 0.80 DPP4 (0.44) CMA1DPP4ACECTRCELANE
SCHEMBL13045312 0.77 KLK5 (0.45) CMA1ACEKLK5
SCHEMBL14272062 0.77 ACE (0.39) AAK1CMA1ACEF2PRSS1
SCHEMBL14272065 0.77 ACE (0.39) AAK1CMA1ACEF2PRSS1
SCHEMBL3741039 0.75 CMA1 (0.44) CMA1DPP4ACEKLK5ELANE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 AAK1 1507/4885CMA1 1070/4885DPP4 1/4885

“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.