SCHEMBL4703591

SCHEMBL4703591

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2cccc(Br)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSS P25774 9/20 0.39
CTSB P07858 5/20 0.39
CTSL P07711 4/20 0.39
CTSC P53634 2/20 0.38
ALOX5 P09917 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
VHL P40337 1/20 0.35

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
SCHEMBL4702127 0.86 CTSK (0.42) CTSKCTSSCTSBCTSLVHL
SCHEMBL6231538 0.86 CTSK (0.42) CTSKCTSSCTSBCTSLVHL
SCHEMBL4700861 0.83 P2RX7 (0.39) CTSKCTSSCTSB
SCHEMBL4700354 0.82 KMT2A (0.43) CTSKCTSSCTSBCTSLVHL
SCHEMBL4702349 0.81 SLC5A1 (0.36) CTSKCTSSCTSBVHL
SCHEMBL4704928 0.81 CTSK (0.49) CTSKCTSSCTSBCTSL
SCHEMBL4701826 0.81 LMNA (0.36) CTSKCTSSCTSBCTSLVHL
SCHEMBL6207260 0.81 CTSK (0.36) CTSKCTSSCTSLFPR3FPR2
SCHEMBL4700452 0.81 CTSK (0.36) CTSKCTSSCTSLFPR3FPR2
SCHEMBL4699575 0.80 CTSK (0.51) CTSKCTSSCTSBCTSL

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 6 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
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 4/4885CTSS 2/4885CTSB 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.