SCHEMBL4984773

SCHEMBL4984773

COc1ccc(-c2cccc(C3CCCCC3C(=O)NCC#N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.54
CTSB P07858 3/20 0.52
CTSS P25774 2/20 0.52
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CTSL P07711 2/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL5685359 1.00 CTSK (0.54) CTSKCTSBCTSSSLC6A2SLC6A4
SCHEMBL4988314 0.86 CTSK (0.67) CTSKCTSBCTSL
SCHEMBL4986475 0.85 CTSK (0.52) CTSKCTSBCTSSCTSL
SCHEMBL4989195 0.81 CTSB (0.54) CTSKCTSBCTSSCTSL
SCHEMBL1375968 0.80 CTSK (0.59) CTSKCTSBCTSSCTSL
SCHEMBL4987675 0.80 CTSK (0.56) CTSKCTSBCTSSSLC6A2SLC6A4
SCHEMBL4986668 0.79 CTSK (0.65) CTSKCTSBCTSSCTSL
SCHEMBL1376012 0.79 CTSK (0.62) CTSKCTSBCTSSCTSL
SCHEMBL4986641 0.78 CTSK (0.65) CTSKCTSBCTSSCTSL
SCHEMBL1379348 0.78 CTSK (0.65) CTSKCTSBCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644326-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-02 EP claimed
US-7405229-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-07-29 US claimed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 US claimed
EP-1644326-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-02 EP 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-20070167635-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSK 3/4885CTSB 1/4885CTSS 2/4885

“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.