SCHEMBL4405976

SCHEMBL4405976

N[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccccc1F)Cc1cc(F)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.52
DPP7 Q9UHL4 13/20 0.50
DPP8 Q6V1X1 11/20 0.50
DPP9 Q86TI2 6/20 0.50
CYP3A4 P08684 2/20 0.50
KCNH2 Q12809 1/20 0.50
FAP Q12884 1/20 0.50
CYP2D6 P10635 1/20 0.47

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
SCHEMBL4412456 0.92 DPP4 (0.51) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4407462 0.92 DPP4 (0.50) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4405184 0.90 DPP4 (0.49) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4398905 0.90 DPP4 (0.53) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4405987 0.89 DPP4 (0.54) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4399539 0.89 DPP4 (0.51) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4407672 0.88 DPP4 (0.49) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4415403 0.88 DPP4 (0.47) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4412404 0.88 DPP4 (0.54) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL4410059 0.85 DPP4 (0.56) DPP4DPP7DPP8DPP9CYP3A4

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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 US claimed
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 4/4885

“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.