SCHEMBL4700759

SCHEMBL4700759

N#CCNC(=O)[C@H]1CCCN1c1cc(-c2ccccc2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.44
USP30 Q70CQ3 2/20 0.44
CTSS P25774 7/20 0.41
CTSK P43235 6/20 0.41
CTSB P07858 5/20 0.41
AADAT Q8N5Z0 3/20 0.41
CTSL P07711 4/20 0.40
CTSV O60911 2/20 0.40
BACE1 P56817 2/20 0.39
PREP P48147 1/20 0.39
AR P10275 1/20 0.39
PORCN Q9H237 1/20 0.39

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
SCHEMBL4699416 0.97 CTSK (0.42) UCHL1USP30CTSSCTSKCTSB
SCHEMBL4701637 0.84 CTSK (0.41) CTSSCTSKCTSBAADATCTSL
SCHEMBL6231955 0.84 CTSB (0.47) UCHL1USP30CTSSCTSKCTSB
SCHEMBL4755888 0.83 BRD4 (0.38) UCHL1USP30CTSSCTSKCTSB
SCHEMBL4701812 0.83 BRD4 (0.38) UCHL1USP30CTSSCTSKCTSB
SCHEMBL4698500 0.81 CTSK (0.43) CTSSCTSKCTSBCTSLCTSV
SCHEMBL4701895 0.80 CTSK (0.53) CTSSCTSKCTSBCTSLBACE1
SCHEMBL4700257 0.76 CTSK (0.43) CTSSCTSKCTSBBACE1
SCHEMBL4701696 0.74 CTSK (0.46) CTSSCTSKCTSBCTSLBACE1
SCHEMBL4702383 0.74 CTSK (0.55) CTSSCTSKCTSBCTSL

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
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
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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 UCHL1 125/4885USP30 617/4885CTSS 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.