SCHEMBL4699397

SCHEMBL4699397

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2cccc3c2CCCC3)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 3/20 0.39
CTSK P43235 3/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
SMO Q99835 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL6256611 1.00 CTSS (0.39) CTSSCTSLCTSBCTSKMAPT
SCHEMBL4700787 0.80 CTSS (0.39) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL4703433 0.79 CTSS (0.42) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL4699076 0.79 CTSK (0.38) CTSSCTSLCTSBCTSK
SCHEMBL4701586 0.76 CTSK (0.37) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL4703591 0.73 CTSK (0.44) CTSSCTSLCTSBCTSK
SCHEMBL4702127 0.72 CTSK (0.42) CTSSCTSLCTSBCTSK
SCHEMBL6231538 0.72 CTSK (0.42) CTSSCTSLCTSBCTSK
SCHEMBL6207260 0.72 CTSK (0.36) CTSSCTSLCTSKHTTSMN1; SMN2
SCHEMBL4700452 0.72 CTSK (0.36) CTSSCTSLCTSKHTTSMN1; SMN2

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 9 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
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO 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 CTSS 2/4885CTSL 8/4885CTSB 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.