SCHEMBL4045065

SCHEMBL4045065

CC(C)(C)OC(=O)NNC[C@@H]1C=CCN1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KMT2A Q03164 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ABCB1 P08183 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
BCL2 P10415 4/20 0.36
BECN1 Q14457 3/20 0.36

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
SCHEMBL27610169 0.80 KDM4E (0.37) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL28714313 0.80 ABCB1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4045663 0.76 PSEN1 (0.37) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL4045063 0.76 PSEN1 (0.37) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL5941666 0.73 AKT1 (0.37) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL5941673 0.73 AKT1 (0.37) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL4038074 0.72 PSEN1 (0.49) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL4043793 0.71 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4044674 0.71 L3MBTL1 (0.35) KDM4EPKMPSEN1PSEN2APH1B
SCHEMBL4047560 0.69 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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 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 KDM4E 3911/4885PKM 2918/4885PSEN1 722/4885

“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.