SCHEMBL4042730

SCHEMBL4042730

CC(C)CC(CC(=O)N1CCC2C=CC=CC2C1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
SNRNP200 O75643 9/20 0.34
SIRT5 Q9NXA8 1/20 0.33
MAPK14 Q16539 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.31
KDM5A P29375 1/20 0.31
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL4041553 0.96 CTSK (0.41) CTSKCTSLCTSSSNRNP200SIRT5
SCHEMBL4037385 0.88 CTSK (0.32) CTSKCTSLCTSSMAPK14
SCHEMBL4042637 0.86 CTSK (0.43) CTSKCTSLCTSSSNRNP200SIRT5
SCHEMBL4040625 0.86 CTSK (0.38) CTSKCTSLCTSS
SCHEMBL4043803 0.85 CTSK (0.42) CTSKCTSLCTSSSNRNP200SIRT5
SCHEMBL4041880 0.85 CTSK (0.42) CTSKCTSLCTSSSNRNP200L3MBTL1
SCHEMBL4040993 0.84 CTSK (0.43) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4040795 0.84 CTSK (0.33) CTSKCTSLCTSS
SCHEMBL4045641 0.83 CTSK (0.32) CTSKCTSLCTSSMAPK14
SCHEMBL4040009 0.82 CTSK (0.42) CTSKCTSLCTSSL3MBTL1

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.