SCHEMBL6590150

SCHEMBL6590150

CC(C[CH]C(=O)NC1C(=O)COC1CN1CCCC1)(C(N)=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.32
CHRM2 P08172 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM3 P20309 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL7411727 0.88 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL6590839 0.88 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL6590478 0.86 HRH3 (0.34) HRH3CTSLCTSSCTSKCYP2D6
SCHEMBL7523232 0.85 ABCB1 (0.37) HRH3
SCHEMBL6590969 0.85 ABCB1 (0.37) HRH3
SCHEMBL7523800 0.85 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL6587760 0.85 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL6586616 0.83 MAPT (0.33)
SCHEMBL7416310 0.83 MAPT (0.33)
SCHEMBL6588417 0.83 CHRM2 (0.32) CHRM2CHRM1CHRM3CTSLCTSS

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP claimed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US claimed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CCR1 581/4885CHRM2 2529/4885CHRM1 3334/4885

“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.