SCHEMBL4701812

SCHEMBL4701812

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2cc(-c3ccccc3)ccc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
CTSS P25774 11/20 0.37
CTSK P43235 9/20 0.37
CTSL P07711 5/20 0.37
CTSB P07858 5/20 0.37
USP30 Q70CQ3 3/20 0.35
UCHL1 P09936 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
CNR1 P21554 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
SCHEMBL4755888 1.00 BRD4 (0.38) BRD4CTSSCTSKCTSLCTSB
SCHEMBL4699857 0.90 BRD4 (0.36) BRD4CTSSCTSKCTSLBRD2
SCHEMBL4704142 0.89 CTSK (0.41) CTSSCTSKCTSLCTSB
SCHEMBL4699988 0.89 P2RX7 (0.34) BRD4CTSSCTSKCTSLCTSB
SCHEMBL4698830 0.89 CTSK (0.40) BRD4CTSSCTSKCTSLCTSB
SCHEMBL4701938 0.89 USP30 (0.36) CTSSCTSKCTSLCTSBUSP30
SCHEMBL4700545 0.88 CTSK (0.36) CTSSCTSK
SCHEMBL4759027 0.88 GRM2 (0.37) CTSSCTSKCTSLCNR1
SCHEMBL4703274 0.88 GRM2 (0.37) CTSSCTSKCTSLCNR1
SCHEMBL4698827 0.87 CTSK (0.36) CTSSCTSKCTSB

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 BRD4 1138/4885CTSS 2/4885CTSK 4/4885

“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.