SCHEMBL17679176

SCHEMBL17679176

C[C@H]1C[C@@]2(CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Cc1ccc(Br)cc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL17679174 1.00 BACE1 (0.51) BACE1GABRA1GABRA5GABRA3GABRA2
SCHEMBL19530377 0.89 BACE1 (0.41) BACE1PDE4B
SCHEMBL19530378 0.89 BACE1 (0.41) BACE1PDE4B
SCHEMBL19514306 0.87 BACE1 (0.40) BACE1PDE4B
SCHEMBL19514301 0.87 BACE1 (0.40) BACE1PDE4B
SCHEMBL31331 0.85 BACE1 (0.67) BACE1GABRA1GABRA5GABRA3GABRA2
SCHEMBL31332 0.82 BACE1 (0.51) BACE1GABRA1GABRA5GABRA3GABRA2
SCHEMBL17679157 0.79 BACE1 (0.47) BACE1TDP1L3MBTL1
SCHEMBL15357702 0.79 BACE1 (0.47) BACE1TDP1L3MBTL1
SCHEMBL15357700 0.79 BACE1 (0.47) BACE1TDP1L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 US disclosed
WO-2016055858-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-04-14 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 (2 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-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885GABRA1 1098/4885GABRA5 1455/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885GABRA1 1098/4885GABRA5 1455/4885

“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.