SCHEMBL6476464

SCHEMBL6476464

CC(CCNC(=O)c1ccccc1)C(C)CC(=O)NC1C(=O)COC1CCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSK P43235 5/20 0.34
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA5 P22460 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6486478 0.89 CTSL (0.41) EPHX2NPC1RAB9ASMN1; SMN2CTSK
SCHEMBL6486966 0.89 HPGD (0.39) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6485378 0.86 EPHX2 (0.38) EPHX2NPC1RAB9ASMN1; SMN2CTSK
SCHEMBL6482606 0.85 RAB9A (0.35) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL6476739 0.83 CCR2 (0.37) EPHX2NPC1RAB9ASMN1; SMN2CTSK
SCHEMBL6475732 0.81 RAB9A (0.35) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6475024 0.80 NPC1 (0.34) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL6476626 0.79 ESRRG (0.34) NPC1RAB9ACTSKCTSLCTSS
SCHEMBL6590719 0.79
SCHEMBL6595810 0.79

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
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US 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-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 EPHX2 2750/4885NPC1 1874/4885RAB9A 2562/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV EPHX2 2750/4885NPC1 1874/4885RAB9A 2562/4885

“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.