SCHEMBL6475738

SCHEMBL6475738

CC(CCCNC(=O)c1ccccc1)CC(=O)NC1C(=O)COC1CN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CCR2 P41597 1/20 0.37
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CCR3 P51677 1/20 0.36
SMYD2 Q9NRG4 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRM1 P11229 1/20 0.35
DPP4 P27487 1/20 0.35
NAAA Q02083 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
SCHEMBL6476739 0.89 CCR2 (0.37) KDM4EALDH1A1SMN1; SMN2CCR2CTSL
SCHEMBL6483202 0.88 CTSL (0.43) CTSLCTSSCTSKNAAA
SCHEMBL6485087 0.85 NAAA (0.36) KDM4EALDH1A1SMN1; SMN2CTSLCTSS
SCHEMBL6476233 0.85 RAB9A (0.34) ALDH1A1SMN1; SMN2CCR2CTSLCTSS
SCHEMBL6486966 0.83 HPGD (0.39) ALDH1A1SMN1; SMN2CTSLCTSSCTSK
SCHEMBL6486296 0.81 ACHE (0.36) KDM4EALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL6486830 0.80 CCR2 (0.39) SMN1; SMN2CCR2
SCHEMBL6483017 0.79 ACHE (0.35) KDM4EALDH1A1SMN1; SMN2CCR2CTSL
SCHEMBL6598812 0.78 L3MBTL1 (0.30)
SCHEMBL6592735 0.78 L3MBTL1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US claimed
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
JP-2002544274-A 2002-12-24 JP claimed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP claimed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO claimed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV KDM4E 3039/4885ALDH1A1 3111/4885SMN1; SMN2 4633/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV KDM4E 3039/4885ALDH1A1 3111/4885SMN1; SMN2 4633/4885

“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.