SCHEMBL13620324

SCHEMBL13620324

COc1ccc(Br)c2c1CN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)C2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
PDE4B Q07343 5/20 0.32
CYP1A2 P05177 1/20 0.32
DPP4 P27487 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
USP30 Q70CQ3 2/20 0.30
UCHL1 P09936 2/20 0.30
TACR1 P25103 2/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL4357930 0.90 CYP1A2 (0.36) CTSDBACE1CYP1A2DPP4HCRTR1
SCHEMBL4357934 0.90 CYP1A2 (0.36) CTSDBACE1CYP1A2DPP4HCRTR1
SCHEMBL4356938 0.88 BACE1 (0.42) CTSDBACE1
SCHEMBL4356942 0.88 BACE1 (0.42) CTSDBACE1
SCHEMBL4359189 0.87 CYP1A2 (0.32) CTSDBACE1PDE4BCYP1A2CCNT1
SCHEMBL4359185 0.87 CYP1A2 (0.32) CTSDBACE1PDE4BCYP1A2CCNT1
SCHEMBL12741865 0.79 MEN1 (0.39)
SCHEMBL8294163 0.79 MEN1 (0.39)
SCHEMBL4362200 0.77 BACE1 (0.41) CTSDBACE1
SCHEMBL4362203 0.77 BACE1 (0.41) CTSDBACE1

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-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
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CTSD 70/4885BACE1 2/4885PDE4B 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.