SCHEMBL4703433

SCHEMBL4703433

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2ccccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.42
CTSK P43235 8/20 0.39
CNR1 P21554 1/20 0.38
CTSB P07858 4/20 0.37
ALDH1A1 P00352 1/20 0.36
CTSL P07711 2/20 0.36
P2RX7 Q99572 2/20 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
SCHEMBL4755888 0.86 BRD4 (0.38) CTSSCTSKCNR1CTSBCTSL
SCHEMBL4701812 0.86 BRD4 (0.38) CTSSCTSKCNR1CTSBCTSL
SCHEMBL4700452 0.84 CTSK (0.36) CTSSCTSKCTSLP2RX7
SCHEMBL6207260 0.84 CTSK (0.36) CTSSCTSKCTSLP2RX7
SCHEMBL4700787 0.84 CTSS (0.39) CTSSCTSKCTSBCTSLP2RX7
SCHEMBL4701586 0.84 CTSK (0.37) CTSSCTSKCTSBALDH1A1CTSL
SCHEMBL4699857 0.80 BRD4 (0.36) CTSSCTSKCTSLP2RX7
SCHEMBL4699988 0.80 P2RX7 (0.34) CTSSCTSKCTSBALDH1A1CTSL
SCHEMBL4704142 0.80 CTSK (0.41) CTSSCTSKCTSBCTSL
SCHEMBL4699397 0.79 CTSS (0.39) CTSSCTSKCTSBALDH1A1CTSL

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 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
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 2/4885CTSK 4/4885CNR1 2559/4885

“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.