SCHEMBL4450998

SCHEMBL4450998

N#CC1(I)CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.59
DPP8 Q6V1X1 4/20 0.59
DPP9 Q86TI2 3/20 0.59
FAP Q12884 1/20 0.59
DPP7 Q9UHL4 1/20 0.43
GLMN Q92990 1/20 0.41

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
SCHEMBL4594530 1.00 DPP4 (0.59) DPP4DPP8DPP9FAPDPP7
SCHEMBL12354533 0.85 DPP4 (0.60) DPP4DPP8DPP9FAPDPP7
SCHEMBL1038132 0.76 DPP4 (0.73) DPP4DPP8DPP9FAPDPP7
SCHEMBL30730737 0.76 DPP4 (0.73) DPP4DPP8DPP9FAPDPP7
Vildagliptin SCHEMBL16823370 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL665401 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL671629 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL16579 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL10031674 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP
Vildagliptin SCHEMBL665400 0.74 DPP4 (1.00) DPP4DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253752-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFIN BURKEY BRYAN 2009-10-08 US disclosed
US-20080299190-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2008-12-04 US disclosed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 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 (3 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-20080299190-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885DPP8 6/4885DPP9 4/4885
US-20090253752-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFIN PPARG, DPP4, DPP3 DPP4 2/4885DPP8 7/4885DPP9 10/4885
US-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 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.