SCHEMBL4366303

SCHEMBL4366303

COc1ccc(Br)c2c1CN(C(=O)OC(C)(C)C)C(C=O)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
UCHL1 P09936 2/20 0.39
PDE4B Q07343 9/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ERN1 O75460 1/20 0.35
STS P08842 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
USP30 Q70CQ3 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4366306 1.00 CYP1A2 (0.42) CYP1A2UCHL1PDE4BHDAC1HDAC6
SCHEMBL4359704 0.85 CYP1A2 (0.48) CYP1A2HDAC1HDAC6ERN1KDM4E
SCHEMBL4359706 0.85 CYP1A2 (0.48) CYP1A2HDAC1HDAC6ERN1KDM4E
SCHEMBL4362159 0.85 CYP1A2 (0.41) CYP1A2UCHL1PDE4BHDAC1HDAC6
SCHEMBL4362160 0.85 CYP1A2 (0.41) CYP1A2UCHL1PDE4BHDAC1HDAC6
SCHEMBL19284643 0.83 PTPN1 (0.47) CYP1A2UCHL1PDE4BHDAC1HDAC6
SCHEMBL28970129 0.79 CYP1A2 (0.45) CYP1A2PDE4BHDAC1HDAC6PDE4A
SCHEMBL30239540 0.79 UCHL1 (0.47) UCHL1HDAC8MEN1KMT2A
SCHEMBL16518060 0.75 CYP1A2 (0.47) CYP1A2UCHL1PDE4BHDAC1HDAC6
SCHEMBL13620324 0.73 CTSD (0.32) CYP1A2UCHL1PDE4BHDAC1HDAC6

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
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CYP1A2 1061/4885UCHL1 27/4885PDE4B 1985/4885

“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.