SCHEMBL4701586

SCHEMBL4701586

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2cccc(-c3ccccc3)c2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.37
CTSS P25774 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
UCHL1 P09936 4/20 0.36
CTSB P07858 4/20 0.36
USP30 Q70CQ3 1/20 0.35
CTSL P07711 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34

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
SCHEMBL4703433 0.84 CTSS (0.42) CTSKCTSSALDH1A1CTSBCTSL
SCHEMBL4701812 0.82 BRD4 (0.38) CTSKCTSSUCHL1CTSBUSP30
SCHEMBL4700469 0.81 P2RX7 (0.37) CTSKCTSSKDM4EMEN1ALDH1A1
SCHEMBL4700787 0.80 CTSS (0.39) CTSKCTSSKDM4EMEN1KMT2A
SCHEMBL6231538 0.79 CTSK (0.42) CTSKCTSSCTSBCTSL
SCHEMBL4702127 0.79 CTSK (0.42) CTSKCTSSCTSBCTSL
SCHEMBL6256611 0.76 CTSS (0.39) CTSKCTSSKDM4EMEN1ALDH1A1
SCHEMBL6207260 0.74 CTSK (0.36) CTSKCTSSKDM4ELMNACTSL
SCHEMBL4700452 0.74 CTSK (0.36) CTSKCTSSKDM4ELMNACTSL
SCHEMBL6209109 0.73 MEN1 (0.39) CTSKCTSSKDM4EMEN1ALDH1A1

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 CTSK 4/4885CTSS 2/4885KDM4E 2274/4885

“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.