SCHEMBL4700570

SCHEMBL4700570

Cc1sc(-c2ccc(N3CCNCC3)cc2)nc1N1CCC[C@H]1C(=O)NCC#N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.43
CTSB P07858 11/20 0.43
CTSS P25774 11/20 0.43
CTSL P07711 10/20 0.43
AADAT Q8N5Z0 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP3A4 P08684 1/20 0.38
ERG P11308 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL4701771 0.86 CTSL (0.42) CTSKCTSBCTSSCTSL
SCHEMBL4702085 0.81 CTSK (0.52) CTSKCTSBCTSSCTSL
SCHEMBL4701859 0.80 CTSL (0.41) CTSKCTSBCTSSCTSLHRH3
SCHEMBL4702383 0.79 CTSK (0.55) CTSKCTSBCTSSCTSL
SCHEMBL4700574 0.78 HRH3 (0.38) HRH3
SCHEMBL4703780 0.78 CTSK (0.44) CTSKCTSBCTSSCTSLCYP3A4
SCHEMBL4704537 0.77 CTSK (0.48) CTSKCTSBCTSSCTSL
SCHEMBL4698841 0.77 CTSL (0.39) CTSKCTSBCTSSCTSL
SCHEMBL4700127 0.76 CTSK (0.54) CTSKCTSBCTSSCTSL
SCHEMBL4701671 0.76 CTSK (0.50) CTSKCTSBCTSSCTSL

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
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
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSB 1/4885CTSS 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.