SCHEMBL4040016

SCHEMBL4040016

NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CTSK P43235 4/20 0.39
CTSL P07711 4/20 0.38
CTSS P25774 4/20 0.38
CTSV O60911 2/20 0.38
DPP4 P27487 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH2 P25021 1/20 0.34
HRH1 P35367 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
SCHEMBL4041496 0.95 CTSK (0.40) EPHX2CTSKCTSLCTSSDPP4
SCHEMBL4040770 0.86 CTSK (0.48) CTSKCTSLCTSSDPP4L3MBTL1
SCHEMBL5941860 0.85 CTSK (0.51) CTSKCTSLCTSSCTSVDPP4
SCHEMBL4044474 0.85 CTSK (0.42) EPHX2CTSKCTSLCTSSDPP4
SCHEMBL4043002 0.85 CTSK (0.45) EPHX2CTSKCTSLCTSSDPP4
SCHEMBL4043607 0.83 CTSL (0.45) CTSKCTSLCTSSCTSVDPP4
SCHEMBL4048184 0.83 DPP4 (0.50) DPP4
SCHEMBL5941875 0.82 TP53 (0.43) CTSKCTSLCTSSCTSVDPP4
SCHEMBL4045588 0.82 DPP4 (0.44) CTSKDPP4
SCHEMBL4041501 0.82 CTSS (0.42) CTSKCTSLCTSS

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 EPHX2 1083/4885CTSK 2/4885CTSL 57/4885

“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.