SCHEMBL17675283

SCHEMBL17675283

C[C@@H]1CC(C2Cc3ccc(-c4cncnc4)cc3C2=O)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
MAOA P21397 1/20 0.34
ACHE P22303 4/20 0.33
LRRK2 Q5S007 1/20 0.33
GRM1 Q13255 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
BACE1 P56817 10/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CTSD P07339 6/20 0.31
TNF P01375 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
SCHEMBL17675432 0.86 LRRK2 (0.33) GRM2LRRK2BACE1CTSD
SCHEMBL17675444 0.81 BACE1 (0.37) ACHEGRM1PRMT5WDR77BACE1
SCHEMBL17675455 0.71 GRM2 (0.36) GRM2MAOAACHELRRK2PRMT5
SCHEMBL17675553 0.66 BACE1 (0.35) LRRK2PRMT5WDR77BACE1CTSD
SCHEMBL17675652 0.66 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL446547 0.62 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL30285494 0.59 PARP10 (0.54)
SCHEMBL17675689 0.59 BACE1 (0.39) BACE1BACE2CTSD
SCHEMBL8023234 0.57 MAOA (0.48) MAOAPRMT5WDR77BACE1CTSD
SCHEMBL17675273 0.57 TDP2 (0.36) ACHEPRMT5WDR77BACE1CTSD

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 2147/4885MAOA 68/4885ACHE 30/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP GRM2 2147/4885MAOA 68/4885ACHE 30/4885

“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.