SCHEMBL4043363

SCHEMBL4043363

COc1ccc(CC(N)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
DPP8 Q6V1X1 4/20 0.46
DPP9 Q86TI2 4/20 0.46
DPP7 Q9UHL4 4/20 0.46
FAP Q12884 3/20 0.46
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
TACR1 P25103 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4048184 0.90 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL4045588 0.90 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL4040770 0.85 CTSK (0.48) DPP4DPP8DPP9DPP7CTSK
SCHEMBL4045220 0.84 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL4041556 0.84 CTSK (0.43) CTSKHDAC8
SCHEMBL4043699 0.84 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL4044474 0.84 CTSK (0.42) DPP4CTSK
SCHEMBL4043002 0.84 CTSK (0.45) DPP4DPP9SMN1; SMN2CTSK
SCHEMBL4041977 0.83 CTSK (0.61) SMN1; SMN2CTSKMEN1KMT2A
SCHEMBL4041496 0.83 CTSK (0.40) DPP4DPP9KDM4ELMNACTSK

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 DPP4 3448/4885DPP8 947/4885DPP9 1045/4885

“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.