SCHEMBL4047662

SCHEMBL4047662

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.41
PAX8 Q06710 2/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
NAPRT Q6XQN6 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
SCHEMBL4039947 0.90 TNKS (0.38) CTSKPAX8TNKSPARP1PARP2
SCHEMBL4044640 0.89 DPP4 (0.41) CTSKPAX8TNKSPARP1PARP2
SCHEMBL4039940 0.89 PARP1 (0.39) PAX8TNKSPARP1PARP2PARP4
SCHEMBL4043491 0.86 DPP4 (0.48) DPP4DPP8DPP9DPP7OPRM1
SCHEMBL4047936 0.86 C3AR1 (0.39) PAX8TNKSPARP1PARP2PARP4
SCHEMBL4043904 0.86 DPP4 (0.44) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL4040172 0.86 DPP4 (0.43) TNKSPARP1PARP2PARP4PARP3
SCHEMBL4039215 0.85 DPP4 (0.39) PAX8TNKSPARP1PARP2PARP4
SCHEMBL4050765 0.85 CTSK (0.51) CTSKDPP4DPP8DPP9DPP7
SCHEMBL5942111 0.85 CTSK (0.51) CTSKDPP4DPP8DPP9DPP7

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 6 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
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 2/4885PAX8 442/4885TNKS 4485/4885

“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.