SCHEMBL17675689

SCHEMBL17675689

CC1(C2CCOCC2)Cc2ccc(-c3cncnc3)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.39
CTSD P07339 9/20 0.39
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
BACE2 Q9Y5Z0 2/20 0.33
MAPK1 P28482 1/20 0.33
OTUD7B Q6GQQ9 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
SCHEMBL17675535 0.86 BACE1 (0.38) BACE1CTSDBRD4BRD2BRD3
SCHEMBL446547 0.72 BACE1 (0.49) BACE1CTSDBACE2OTUD7B
SCHEMBL17675444 0.70 BACE1 (0.37) BACE1CTSDHDAC3HDAC1HDAC2
SCHEMBL17678590 0.67 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL17675273 0.66 TDP2 (0.36) BACE1CTSDOTUD7B
SCHEMBL17675553 0.65 BACE1 (0.35) BACE1CTSDHDAC3HDAC1HDAC2
SCHEMBL450079 0.64 BACE1 (0.44) BACE1CTSDBACE2OTUD7B
SCHEMBL450080 0.64 BACE1 (0.44) BACE1CTSDBACE2OTUD7B
SCHEMBL17675455 0.61 GRM2 (0.36) BACE1CTSD
SCHEMBL7928657 0.60 BACE1 (0.55) BACE1CTSD

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 6 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
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 1/4885CTSD 61/4885BRD4 2198/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885CTSD 61/4885BRD4 2198/4885

“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.