SCHEMBL4699333

SCHEMBL4699333

CC(C)CC(Sc1ccc(-c2ccc(CN3CCCC3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
CTSS P25774 8/20 0.46
CTSK P43235 8/20 0.46
CTSB P07858 7/20 0.45
CTSL P07711 7/20 0.45
MCHR1 Q99705 3/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4699248 0.84 CTSL (0.58) CTSSCTSKCTSBCTSL
SCHEMBL4699909 0.83 CTSK (0.53) CTSSCTSKCTSBCTSL
SCHEMBL4699985 0.82 CTSK (0.52) CTSSCTSKCTSBCTSL
SCHEMBL6271092 0.82 CTSK (0.52) CTSSCTSKCTSBCTSL
SCHEMBL4701868 0.81 CTSK (0.67) CTSSCTSKCTSBCTSL
SCHEMBL6211886 0.81 CTSK (0.67) CTSSCTSKCTSBCTSL
SCHEMBL4698421 0.81 CTSK (0.51) CTSSCTSKCTSBCTSL
SCHEMBL4698876 0.79 CTSS (0.58) CTSSCTSKCTSBCTSL
SCHEMBL4702083 0.79 HRH3 (0.47) HRH3CTSSCTSKCTSBCTSL
SCHEMBL6209270 0.79 HRH3 (0.47) HRH3CTSSCTSKCTSBCTSL

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 3 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 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 HRH3 1600/4885CTSS 2/4885CTSK 4/4885

“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.