SCHEMBL4701147

SCHEMBL4701147

N#CCNC(=O)C1CCCCN1c1cccc(-c2cccc(N3CCC(N4CCCCC4)CC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
CTSB P07858 11/20 0.46
CTSS P25774 11/20 0.46
L3MBTL3 Q96JM7 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HDAC4 P56524 1/20 0.44
MBTD1 Q05BQ5 2/20 0.43
TP53BP1 Q12888 1/20 0.43
CTSL P07711 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL4700473 0.93 CTSK (0.46) CTSKCTSBCTSSL3MBTL3L3MBTL1
SCHEMBL4699877 0.90 CTSK (0.47) CTSKCTSBCTSSCTSLJAK2
SCHEMBL4701537 0.87 CTSK (0.49) CTSKCTSBCTSSCTSL
SCHEMBL4701545 0.87 CTSK (0.49) CTSKCTSBCTSSCTSL
SCHEMBL4701895 0.86 CTSK (0.53) CTSKCTSBCTSSCTSL
SCHEMBL4700127 0.83 CTSK (0.54) CTSKCTSBCTSSCTSL
SCHEMBL4698399 0.83 CTSS (0.52) CTSKCTSBCTSSCTSL
SCHEMBL4701696 0.82 CTSK (0.46) CTSKCTSBCTSSCTSLJAK2
SCHEMBL4699581 0.80 CNR2 (0.43) CTSKCTSBCTSS
SCHEMBL4702383 0.80 CTSK (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSB 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.