SCHEMBL4317290

SCHEMBL4317290

CCCN1C[C@H](O)[C@@H](NC(=O)[C@@H](N)CC(C)C)CC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.38
DPP4 P27487 2/20 0.37
ARG1 P05089 3/20 0.35
GAA P10253 1/20 0.33
CTSK P43235 2/20 0.32
OGA O60502 1/20 0.32
PEPD P12955 1/20 0.32
ARG2 P78540 2/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL4314936 0.83 METAP2 (0.35) CTSK
SCHEMBL4314933 0.83 METAP2 (0.35) CTSK
SCHEMBL4314924 0.83 METAP2 (0.35) CTSK
SCHEMBL4318923 0.79 CACNA1B (0.43) CACNA1BDPP4ARG1CTSKPEPD
SCHEMBL4310039 0.76 CTSK (0.36) CACNA1BDPP4CTSK
SCHEMBL5948848 0.74 CACNA1B (0.36) CACNA1BDPP4ARG1CTSKPEPD
SCHEMBL4318521 0.73 POLB (0.47) CACNA1BDPP4CTSKPEPD
SCHEMBL4327583 0.73 POLB (0.47) CACNA1BDPP4CTSKPEPD
SCHEMBL4327587 0.73 POLB (0.47) CACNA1BDPP4CTSKPEPD
SCHEMBL4318518 0.73 POLB (0.47) CACNA1BDPP4CTSKPEPD

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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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 (2 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CACNA1B 4408/4885DPP4 80/4885ARG1 1045/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CACNA1B 4272/4885DPP4 40/4885ARG1 989/4885

“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.