SCHEMBL4041949

SCHEMBL4041949

NC1(C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 4/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 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
SCHEMBL4041947 0.88 CTSK (0.40) CTSLCTSSCTSKEPHX2L3MBTL1
SCHEMBL4047202 0.80 CTSK (0.44) CTSLCTSSCTSK
SCHEMBL4041513 0.80 CTSK (0.39) CTSLCTSSCTSKEPHX2CNR2
SCHEMBL4047880 0.78 CTSK (0.48) CTSLCTSSCTSKEPHX2ALDH1A1
SCHEMBL4045826 0.78 TSHR (0.35) CTSLCTSSCTSKALDH1A1TSHR
SCHEMBL4040016 0.77 EPHX2 (0.39) CTSLCTSSCTSKEPHX2L3MBTL1
SCHEMBL6210331 0.77 L3MBTL1 (0.40) CTSLCTSSCTSKEPHX2L3MBTL1
SCHEMBL6211281 0.76 CTSK (0.38) CTSLCTSSCTSKEPHX2ALDH1A1
SCHEMBL4040806 0.76 CTSK (0.38) CTSLCTSSCTSK
SCHEMBL6238275 0.76 CTSL (0.40) CTSLCTSSCTSKL3MBTL1ALDH1A1

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 4 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-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

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 CTSL 57/4885CTSS 3/4885CTSK 2/4885

“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.