SCHEMBL4041947

SCHEMBL4041947

NC(=O)C1(C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 4/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PDE10A Q9Y233 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 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
SCHEMBL4041949 0.88 CTSL (0.41) CTSKCTSLCTSSEPHX2L3MBTL1
SCHEMBL4042101 0.84 CTSL (0.33) CTSKCTSLCTSSEPHX2L3MBTL1
SCHEMBL4047201 0.81 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4045821 0.78 PARP1 (0.35) CTSKCTSLCTSSALDH1A1TSHR
SCHEMBL6210331 0.77 L3MBTL1 (0.40) CTSKCTSLCTSSEPHX2L3MBTL1
SCHEMBL4047880 0.77 CTSK (0.48) CTSKCTSLCTSSEPHX2ALDH1A1
SCHEMBL4041513 0.76 CTSK (0.39) CTSKCTSLCTSSEPHX2CNR2
SCHEMBL4043495 0.76 PARP1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4040016 0.76 EPHX2 (0.39) CTSKCTSLCTSSEPHX2L3MBTL1
SCHEMBL4044468 0.75 L3MBTL1 (0.38) CTSKCTSLCTSSEPHX2L3MBTL1

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSL 57/4885CTSS 3/4885

“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.