SCHEMBL5545247

SCHEMBL5545247

N#Cc1ccc(NCC2CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C2)nc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.69
DPP8 Q6V1X1 4/20 0.59
DPP7 Q9UHL4 4/20 0.59
DPP9 Q86TI2 3/20 0.59
PREP P48147 1/20 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
SCHEMBL5549129 1.00 DPP4 (0.69) DPP4DPP8DPP7DPP9PREP
SCHEMBL5545248 1.00 DPP4 (0.69) DPP4DPP8DPP7DPP9PREP
SCHEMBL5548769 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL5549927 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL8283315 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL5543242 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL5545212 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
SCHEMBL5543428 0.86 DPP4 (0.75) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5548856 0.85 DPP4 (0.74) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL5543454 0.85 DPP4 (0.74) DPP4DPP8DPP7DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US claimed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US disclosed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 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.