SCHEMBL17675455

SCHEMBL17675455

CC1CC(=C2Cc3ccc(-c4cncnc4)cc3C2=O)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
TDP2 O95551 2/20 0.34
MAOA P21397 1/20 0.34
BACE1 P56817 10/20 0.33
CTSD P07339 6/20 0.33
LRRK2 Q5S007 1/20 0.33
TNF P01375 1/20 0.31
ACHE P22303 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL17675273 0.79 TDP2 (0.36) TDP2BACE1CTSDTNFACHE
SCHEMBL17675423 0.77 PBRM1 (0.43) TDP2ACHE
SCHEMBL17675283 0.71 GRM2 (0.36) GRM2MAOABACE1CTSDLRRK2
SCHEMBL17675432 0.67 LRRK2 (0.33) GRM2BACE1CTSDLRRK2
SCHEMBL446547 0.62 BACE1 (0.49) TDP2BACE1CTSD
SCHEMBL17675689 0.61 BACE1 (0.39) BACE1CTSD
SCHEMBL17675444 0.61 BACE1 (0.37) TDP2BACE1CTSDTNFACHE
SCHEMBL30285494 0.59 PARP10 (0.54) TDP2
SCHEMBL6746651 0.58 CYP11B1 (0.55) TDP2PDE3BPDE3A
SCHEMBL3246999 0.57 GRIA2 (0.76)

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 GRM2 2147/4885TDP2 178/4885MAOA 68/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP GRM2 2147/4885TDP2 178/4885MAOA 68/4885

“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.