SCHEMBL4041733

SCHEMBL4041733

CC(C)CC(CC(=O)N1CCNCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.34
MC4R P32245 1/20 0.33
SNRNP200 O75643 4/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSL P07711 3/20 0.31
CTSS P25774 3/20 0.31
CTSB P07858 1/20 0.31
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
SIRT5 Q9NXA8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4043017 0.92 CTSK (0.34) CTSKKDM4EGAAHSD17B10CTSL
SCHEMBL4043246 0.91 POLB (0.36) CTSKCTSLCTSSALDH1A1
SCHEMBL4043087 0.90 KDM4E (0.39) CTSKKDM4EGAAHSD17B10L3MBTL1
SCHEMBL4044086 0.88 CTSK (0.40) CTSKCTSLCTSSCTSB
SCHEMBL4043600 0.88 ALDH1A1 (0.39) KDM4EGAAHSD17B10L3MBTL1ALDH1A1
SCHEMBL4040795 0.88 CTSK (0.33) CTSKCTSLCTSSCTSB
SCHEMBL4043803 0.87 CTSK (0.42) CTSKMC4RSNRNP200KDM4EGAA
SCHEMBL4044115 0.86 CTSK (0.34) CTSKMC4RKDM4ECTSLCTSS
SCHEMBL4037385 0.86 CTSK (0.32) CTSKCTSLCTSSCTSB
SCHEMBL4041928 0.86 CTSK (0.35) CTSKMC4RGAADPP4DPP9

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 CTSK 2/4885MC4R 3708/4885SNRNP200 2830/4885

“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.