SCHEMBL4411399

SCHEMBL4411399

N[C@@H](CC(=O)N1CCC(NC(=O)N2CCOCC2)CC1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.55
CYP3A4 P08684 4/20 0.53
DPP7 Q9UHL4 1/20 0.53
DPP9 Q86TI2 2/20 0.52

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
SCHEMBL4550662 1.00 DPP4 (0.55) DPP4CYP3A4DPP7DPP9
SCHEMBL21985108 0.87 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL29142108 0.87 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL21985104 0.87 DPP4 (0.68) DPP4CYP3A4DPP7DPP9
SCHEMBL4405283 0.85 DPP4 (0.49) DPP4CYP3A4DPP7DPP9
SCHEMBL4407412 0.84 DPP4 (0.64) DPP4CYP3A4DPP7DPP9
SCHEMBL4413596 0.82 DPP4 (0.59) DPP4CYP3A4DPP7DPP9
SCHEMBL4403622 0.80 DPP4 (0.69) DPP4CYP3A4DPP7DPP9
SCHEMBL14007009 0.79 DPP4 (0.65) DPP4CYP3A4DPP7DPP9
SCHEMBL14006996 0.78 DPP4 (0.58) DPP4CYP3A4DPP7DPP9

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-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
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 653/4885DPP7 3/4885

“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.