SCHEMBL4458936

SCHEMBL4458936

CC(C)CC(N)C(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.54
DPP7 Q9UHL4 7/20 0.54
DPP8 Q6V1X1 5/20 0.54
DPP9 Q86TI2 5/20 0.54
CTSK P43235 3/20 0.48
CTSS P25774 4/20 0.42
CTSV O60911 3/20 0.42
CTSL P07711 3/20 0.42
FAP Q12884 5/20 0.39
XPNPEP1 Q9NQW7 2/20 0.36
PEPD P12955 1/20 0.36
PREP P48147 1/20 0.35

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
SCHEMBL5098255 0.92 CTSK (0.55) DPP4DPP7DPP8DPP9CTSK
SCHEMBL5257520 0.85 DPP4 (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL6802499 0.84 CTSS (0.53) DPP4DPP7DPP8DPP9CTSK
SCHEMBL6802278 0.83 CTSS (0.54) DPP4DPP7DPP8DPP9CTSK
SCHEMBL6801647 0.80 DPP4 (0.58) DPP4DPP7DPP8DPP9CTSK
SCHEMBL5256719 0.79 DPP4 (0.59) DPP4DPP7DPP8DPP9FAP
SCHEMBL5254912 0.79 CTSK (0.47) DPP4DPP7DPP8DPP9CTSK
SCHEMBL5258460 0.78 DPP4 (0.52) DPP4DPP7DPP8DPP9CTSK
SCHEMBL6802617 0.78 CTSS (0.59) DPP4DPP7DPP8DPP9CTSK
SCHEMBL5258757 0.77 CTSS (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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 (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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 DPP4 670/4885DPP7 297/4885DPP8 620/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 DPP4 651/4885DPP7 401/4885DPP8 600/4885

“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.