SCHEMBL4459397

SCHEMBL4459397

CC(CCNC(=O)c1ccc(-c2cccs2)cc1)CC(=O)N1CCCC2OCC(=O)C21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
PREP P48147 1/20 0.49
CHRM4 P08173 1/20 0.42
CTSK P43235 3/20 0.42
DRD4 P21917 10/20 0.40
DRD2 P14416 9/20 0.40
HTR2A P28223 6/20 0.40
CTSS P25774 4/20 0.38
CTSV O60911 3/20 0.38
CTSL P07711 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL4451166 0.95 CTSK (0.46) DPP4PREPCHRM4CTSKDRD4
SCHEMBL4459112 0.87 CTSS (0.50) DPP4PREPCTSKCTSSCTSV
SCHEMBL7014847 0.85 CTSK (0.44) DPP4CTSKCTSSCTSVCTSL
SCHEMBL4451291 0.84 CTSK (0.56) DPP4CTSKCTSSCTSVCTSL
SCHEMBL7020885 0.84 CTSK (0.43) DPP4CTSKDRD4DRD2CTSS
SCHEMBL7014652 0.83 CTSK (0.44) DPP4CTSKCTSSCTSVCTSL
SCHEMBL7020211 0.82 CTSK (0.40) CTSKCTSSCTSVCTSL
SCHEMBL7016550 0.82 CTSK (0.41) DPP4CTSKCTSSCTSVCTSL
SCHEMBL4451610 0.81 CTSS (0.55) DPP4CTSKCTSSCTSVCTSL
SCHEMBL4457853 0.81 PREP (0.47) DPP4PREPCHRM4CTSKCTSS

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 670/4885PREP 33/4885CHRM4 3451/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 DPP4 651/4885PREP 26/4885CHRM4 2136/4885

“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.