SCHEMBL5509534

SCHEMBL5509534

COCCN1CCC(c2ccc(C(O[C@@H](CC(C)C)C(=O)NCC#N)c3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.44
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
CTSB P07858 2/20 0.44
PRCP P42785 5/20 0.43
SLC18A3 Q16572 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CCR1 P32246 1/20 0.40
HTR4 Q13639 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
SCHEMBL5509530 1.00 CTSL (0.44) CTSLCTSSCTSKCTSBPRCP
SCHEMBL5515127 0.91 CTSS (0.40) CTSLCTSSCTSKCTSB
SCHEMBL5515117 0.91 CTSS (0.40) CTSLCTSSCTSKCTSB
SCHEMBL5515121 0.91 CTSS (0.40) CTSLCTSSCTSKCTSB
SCHEMBL5512349 0.89 CTSK (0.47) CTSLCTSSCTSKCTSBPRCP
SCHEMBL5512355 0.89 CTSK (0.47) CTSLCTSSCTSKCTSBPRCP
SCHEMBL6172156 0.88 CTSK (0.46) CTSLCTSSCTSKCTSBCCR1
SCHEMBL5514116 0.88 SLC18A3 (0.48) PRCPSLC18A3ADRA1DADRA1AADRA1B
SCHEMBL5514109 0.88 SLC18A3 (0.48) PRCPSLC18A3ADRA1DADRA1AADRA1B
SCHEMBL6172153 0.85 CTSK (0.44) CTSLCTSSCTSKCTSBCCR1

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 4 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
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSL 8/4885CTSS 2/4885CTSK 3/4885

“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.