SCHEMBL5519252

SCHEMBL5519252

CC(C)C[C@H](OC(c1ccccc1)c1ccc(C2CCCN(C)C2)cc1)C(=O)NCC#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.43
CTSK P43235 9/20 0.43
CTSB P07858 6/20 0.43
CTSL P07711 6/20 0.43
ASAH1 Q13510 1/20 0.39
LSS P48449 2/20 0.39
GRM2 Q14416 1/20 0.39
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
HCRTR2 O43614 1/20 0.37

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
SCHEMBL5519248 1.00 CTSS (0.43) CTSSCTSKCTSBCTSLASAH1
SCHEMBL5515090 1.00 CTSS (0.43) CTSSCTSKCTSBCTSLASAH1
SCHEMBL5515117 0.89 CTSS (0.40) CTSSCTSKCTSBCTSLGRM2
SCHEMBL5515121 0.89 CTSS (0.40) CTSSCTSKCTSBCTSLGRM2
SCHEMBL5515127 0.89 CTSS (0.40) CTSSCTSKCTSBCTSLGRM2
SCHEMBL5512355 0.89 CTSK (0.47) CTSSCTSKCTSBCTSL
SCHEMBL5512349 0.89 CTSK (0.47) CTSSCTSKCTSBCTSL
SCHEMBL5516080 0.88 CYP2D6 (0.43) ASAH1LSSGRM2CYP2D6HTT
SCHEMBL5516446 0.87 CYP2D6 (0.43) ASAH1LSSGRM2CYP2D6HTT
SCHEMBL5516441 0.87 CYP2D6 (0.43) ASAH1LSSGRM2CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSS 2/4885CTSK 3/4885CTSB 1/4885

“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.