SCHEMBL3479637

SCHEMBL3479637

COc1ccc(-c2nc(CN3C(=O)N(c4cccc(F)c4)[C@@]4(CCN(Cc5cccc(OC(C)C)c5)[C@@H](C)C4)C3=O)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.48
CES2 O00748 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
ACHE P22303 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
SCHEMBL3479541 0.89 BACE1 (0.52) BACE1
SCHEMBL3479586 0.87 BACE1 (0.57) BACE1
SCHEMBL3479588 0.85 BACE1 (0.55) BACE1
SCHEMBL4257463 0.85 BACE1 (0.55) BACE1
SCHEMBL3479491 0.85 BACE1 (0.51) BACE1
SCHEMBL3479512 0.84 BACE1 (0.51) BACE1
SCHEMBL3479389 0.84 BACE1 (0.53) BACE1
SCHEMBL4253964 0.84 BACE1 (0.52) BACE1
SCHEMBL3479522 0.84 BACE1 (0.52) BACE1
SCHEMBL3479370 0.84 BACE1 (0.53) 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO claimed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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 (1 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 BACE1 1/4885CES2 1268/4885PTGDR2 1305/4885

“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.