SCHEMBL1376012

SCHEMBL1376012

N#CCNC(=O)C1CCCCC1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.62
CTSB P07858 6/20 0.60
CTSL P07711 3/20 0.60
CTSS P25774 4/20 0.57
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56

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
SCHEMBL4986668 0.85 CTSK (0.65) CTSKCTSBCTSLCTSS
SCHEMBL1375844 0.82 CTSK (0.63) CTSKCTSBCTSLCTSS
SCHEMBL4987658 0.81 CTSK (0.75) CTSKCTSBCTSLCTSS
SCHEMBL4988677 0.79 CTSK (0.69) CTSKCTSBCTSLCTSS
SCHEMBL4988314 0.79 CTSK (0.67) CTSKCTSBCTSL
SCHEMBL4984773 0.79 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL5685359 0.79 CTSK (0.54) CTSKCTSBCTSLCTSS
SCHEMBL4986728 0.78 CTSK (0.70) CTSKCTSBCTSLCTSS
SCHEMBL1375902 0.78 CTSK (0.76) CTSKCTSBCTSLCTSS
SCHEMBL4984939 0.78 CTSK (0.76) CTSKCTSBCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4690319-B2 2011-06-01 JP claimed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 US claimed
EP-1644326-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-04-12 EP claimed
WO-2005000800-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-01-06 WO claimed
US-7405229-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-07-29 US disclosed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 US disclosed
EP-1644326-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-04-12 EP disclosed
WO-2005000800-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-01-06 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 (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 1/4885CTSL 10/4885

“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.