SCHEMBL19566705

SCHEMBL19566705

CO[C@H]1CC[C@](C)(C2(c3cc(NC(=O)c4ncc(Cl)cc4C)ccc3C)N=C(C)C(N)=N2)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
APP P05067 9/20 0.77
CTSD P07339 2/20 0.50
BACE2 Q9Y5Z0 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL9948088 0.87 BACE1 (1.00) BACE1APP
SCHEMBL9948620 0.87 BACE1 (1.00) BACE1APP
SCHEMBL18927139 0.85 BACE1 (0.67) BACE1APPCTSDBACE2KCNH2
SCHEMBL10270599 0.81 BACE1 (0.78) BACE1APP
SCHEMBL9948456 0.81 BACE1 (1.00) BACE1APP
SCHEMBL9947877 0.81 BACE1 (1.00) BACE1APP
SCHEMBL18926394 0.80 BACE1 (0.66) BACE1APPBACE2
SCHEMBL9948169 0.78 BACE1 (1.00) BACE1APP
SCHEMBL9948016 0.78 BACE1 (1.00) BACE1APP
SCHEMBL18926487 0.76 BACE1 (0.65) BACE1APP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US 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 (3 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-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885

“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.