SCHEMBL6476233

SCHEMBL6476233

CC(CC(=O)NC1C(=O)COC1CN1CCCC1)C(C)(C)CCNC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
CCR2 P41597 1/20 0.34
CTSL P07711 3/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
OPRK1 P41145 1/20 0.34
CHRM1 P11229 1/20 0.34
HPGDS O60760 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL6475393 0.89 CTSL (0.42) RAB9AALDH1A1NPC1GAASMN1; SMN2
SCHEMBL6486296 0.86 ACHE (0.36) RAB9AALDH1A1NPC1GAASMN1; SMN2
SCHEMBL6486830 0.85 CCR2 (0.39) SMN1; SMN2ACHECCR2
SCHEMBL6476739 0.85 CCR2 (0.37) RAB9AALDH1A1NPC1SMN1; SMN2ACHE
SCHEMBL6476449 0.85 RAB9A (0.36) RAB9AALDH1A1NPC1GAASMN1; SMN2
SCHEMBL6475695 0.85 OPRK1 (0.37) RAB9AACHECTSLCTSSCTSK
SCHEMBL6475738 0.85 KDM4E (0.38) RAB9AALDH1A1SMN1; SMN2CCR2CTSL
SCHEMBL6482606 0.84 RAB9A (0.35) RAB9AALDH1A1NPC1GAASMN1; SMN2
SCHEMBL6483017 0.84 ACHE (0.35) ALDH1A1SMN1; SMN2ACHECCR2CTSL
SCHEMBL6476921 0.80 CTSL (0.39) RAB9AALDH1A1SMN1; SMN2CTSLCTSS

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 10 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
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
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 (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 RAB9A 2562/4885ALDH1A1 3111/4885NPC1 1874/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV RAB9A 2562/4885ALDH1A1 3111/4885NPC1 1874/4885

“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.