SCHEMBL4042637

SCHEMBL4042637

CC(C)CC(CC(=O)N1CCN(C)CC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
REN P00797 4/20 0.36
SNRNP200 O75643 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 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
SCHEMBL4040993 0.91 CTSK (0.43) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4041880 0.91 CTSK (0.42) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4043803 0.91 CTSK (0.42) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4040009 0.90 CTSK (0.42) CTSKCTSLCTSSL3MBTL1KDM4E
SCHEMBL4041553 0.88 CTSK (0.41) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4043017 0.86 CTSK (0.34) CTSKCTSLCTSSDPP4DPP9
SCHEMBL4042730 0.86 CTSK (0.40) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4041508 0.84 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL4041281 0.82 CTSK (0.40) CTSKCTSLCTSSL3MBTL1DPP4
SCHEMBL4044245 0.82 REN (0.35) CTSKCTSLCTSSRENKDM4E

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.