SCHEMBL6438877

SCHEMBL6438877

N=C(N)NCCCC(N)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.52
DPP7 Q9UHL4 15/20 0.52
DPP8 Q6V1X1 14/20 0.52
DPP9 Q86TI2 7/20 0.52
FAP Q12884 4/20 0.42

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
SCHEMBL5050089 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL2182923 1.00 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL2183915 0.88 DPP7 (0.42) DPP4DPP7DPP8DPP9
SCHEMBL2181939 0.88 DPP7 (0.41) DPP4DPP7DPP8DPP9
SCHEMBL2192847 0.86 NPY4R (0.41) DPP4DPP7DPP8DPP9
SCHEMBL2190402 0.83 NRP1 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL30199162 0.83 DPP4 (0.43) DPP4DPP7DPP8DPP9FAP
SCHEMBL3451623 0.82 ACE (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL1674799 0.82 ACE (0.46) DPP4DPP7DPP8DPP9FAP
SCHEMBL2114959 0.82 ACE (0.46) DPP4DPP7DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-02-17 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-20050037090-A1 Combination therapy including a cyclooxygenase-2 inhibitor and an antineoplastic agent PTGS2, PTGES2, PTGS1 DPP4 2395/4885DPP7 1491/4885DPP8 2832/4885

“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.