SCHEMBL17675267

SCHEMBL17675267

NC1=NC2(CO1)c1cc(Br)ccc1CC2N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.42
KCNH2 Q12809 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL17675261 0.82 BACE1 (0.52) BACE1KCNH2
SCHEMBL17675694 0.77 BACE1 (0.44) BACE1TAAR1APP
SCHEMBL17679230 0.75 BACE1 (0.53) BACE1KCNH2APP
SCHEMBL17675266 0.70 BACE1 (0.41) BACE1KCNH2TAAR1
SCHEMBL8534926 0.69 BACE1 (0.41) BACE1
SCHEMBL9932928 0.69 BACE1 (0.41) BACE1TAAR1
SCHEMBL17679236 0.68 BACE1 (0.40) BACE1KCNH2TAAR1
SCHEMBL9932295 0.65 BACE1 (0.70) BACE1
SCHEMBL9882532 0.65 BACE1 (0.70) BACE1
SCHEMBL8514168 0.65 BACE1 (0.66) BACE1

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 1/4885KCNH2 4739/4885TAAR1 1924/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885KCNH2 4739/4885TAAR1 1924/4885

“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.