SCHEMBL17675384

SCHEMBL17675384

COC1[C@H](C)CC2(Cc3ccc(Br)cc3C2=O)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.45
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TDP2 O95551 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL15357673 1.00 BACE1 (0.45) BACE1TDP1L3MBTL1BCHEPBRM1
SCHEMBL15490123 0.90 BACE1 (0.38) BACE1TDP1L3MBTL1BCHE
SCHEMBL19514374 0.86 CA1 (0.37) BACE1TDP1L3MBTL1PBRM1TDP2
SCHEMBL15357712 0.86 CA1 (0.37) BACE1TDP1L3MBTL1PBRM1TDP2
SCHEMBL15357711 0.86 CA1 (0.37) BACE1TDP1L3MBTL1PBRM1TDP2
SCHEMBL17675643 0.86 CA1 (0.37) BACE1TDP1L3MBTL1PBRM1TDP2
SCHEMBL15490112 0.86 TDP1 (0.39) TDP1L3MBTL1PBRM1TDP2PARP1
SCHEMBL15490136 0.85 BACE1 (0.37) BACE1TDP1L3MBTL1PBRM1TDP2
SCHEMBL7882444 0.85 TDP1 (0.38) BACE1TDP1L3MBTL1BCHEPBRM1
SCHEMBL30327 0.85 TDP1 (0.38) BACE1TDP1L3MBTL1BCHEPBRM1

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 3 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
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 1/4885TDP1 87/4885L3MBTL1 3469/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885TDP1 87/4885L3MBTL1 3469/4885

“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.