SCHEMBL4045402

SCHEMBL4045402

CCCC(O)C(=O)N1CC(=O)C2C1CCN2C(=O)C(N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.44
DPP7 Q9UHL4 4/20 0.44
DPP8 Q6V1X1 4/20 0.44
DPP9 Q86TI2 4/20 0.44
CTSK P43235 2/20 0.40
FAP Q12884 2/20 0.35
ARG1 P05089 1/20 0.32
PEPD P12955 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32

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
SCHEMBL4045257 0.92 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4050902 0.92 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4043693 0.91 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049054 0.89 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4052757 0.87 DPP4 (0.48) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4044435 0.86 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4049034 0.86 DPP4 (0.41) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4046936 0.86 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4041455 0.85 DPP4 (0.46) DPP4DPP7DPP8DPP9CTSK
SCHEMBL4046821 0.84 DPP4 (0.44) DPP4DPP7DPP8DPP9CTSK

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS DPP4 3448/4885DPP7 1904/4885DPP8 947/4885

“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.