SCHEMBL6476739

SCHEMBL6476739

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.37
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
OPRK1 P41145 1/20 0.35
CHRM1 P11229 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACHE P22303 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
SCHEMBL6475738 0.89 KDM4E (0.38) CCR2SMN1; SMN2RAB9ACTSLCTSS
SCHEMBL6486478 0.88 CTSL (0.41) EPHX2SMN1; SMN2NPC1RAB9ACTSL
SCHEMBL6485378 0.85 EPHX2 (0.38) EPHX2SMN1; SMN2NPC1RAB9ACTSL
SCHEMBL6476233 0.85 RAB9A (0.34) CCR2SMN1; SMN2NPC1RAB9ACTSL
SCHEMBL6476464 0.83 EPHX2 (0.36) EPHX2SMN1; SMN2NPC1RAB9ACTSL
SCHEMBL6486296 0.81 ACHE (0.36) CCR2SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL6486830 0.81 CCR2 (0.39) CCR2SMN1; SMN2NPSR1ACHE
SCHEMBL6483017 0.79 ACHE (0.35) CCR2SMN1; SMN2CTSLCTSSCTSK
SCHEMBL6586627 0.79
SCHEMBL6477311 0.77 CTSK (0.46) CTSLCTSSCTSK

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
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

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 CCR2 144/4885EPHX2 2750/4885SMN1; SMN2 4633/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CCR2 144/4885EPHX2 2750/4885SMN1; 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.