SCHEMBL3479446

SCHEMBL3479446

CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)C(=O)N(Cc2ncc(-c4ccc(Cl)cc4)o2)C(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.48
P2RX3 P56373 1/20 0.34

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
SCHEMBL3479339 0.84 BACE1 (0.59) BACE1
SCHEMBL4255013 0.83 BACE1 (0.50) BACE1
SCHEMBL3479639 0.83 BACE1 (0.50) BACE1
SCHEMBL3479398 0.83 BACE1 (0.47) BACE1
SCHEMBL3479586 0.83 BACE1 (0.57) BACE1
SCHEMBL3479512 0.83 BACE1 (0.51) BACE1
SCHEMBL3479636 0.83 BACE1 (0.51) BACE1
SCHEMBL3479389 0.82 BACE1 (0.53) BACE1
SCHEMBL3479491 0.82 BACE1 (0.51) BACE1
SCHEMBL3479484 0.82 BACE1 (0.56) 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 3 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 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 1/4885P2RX3 2483/4885

“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.