SCHEMBL17675432

SCHEMBL17675432

C=C1c2cc(-c3cncnc3)ccc2CC1C1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.33
GRM2 Q14416 1/20 0.31
BACE1 P56817 5/20 0.31
CTSD P07339 2/20 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
SCHEMBL17675283 0.86 GRM2 (0.36) LRRK2GRM2BACE1CTSD
SCHEMBL17675553 0.81 BACE1 (0.35) LRRK2BACE1CTSD
SCHEMBL17675455 0.67 GRM2 (0.36) LRRK2GRM2BACE1CTSD
SCHEMBL17675444 0.66 BACE1 (0.37) BACE1CTSD
SCHEMBL17675652 0.66 BACE1 (0.51) BACE1CTSD
SCHEMBL17675535 0.59 BACE1 (0.38) BACE1CTSD
SCHEMBL8023234 0.57 MAOA (0.48) BACE1CTSD
SCHEMBL446547 0.56 BACE1 (0.49) BACE1CTSD
SCHEMBL1009552 0.56 MAOA (0.46)
SCHEMBL450080 0.55 BACE1 (0.44) 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 LRRK2 78/4885GRM2 2147/4885BACE1 1/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP LRRK2 78/4885GRM2 2147/4885BACE1 1/4885

“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.