SCHEMBL3479475

SCHEMBL3479475

CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)C(=O)NC(=O)N3c2cc(F)ccc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.52
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TACR1 P25103 2/20 0.37

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
Trifluoroacetic Acid SCHEMBL3479447 0.95 BACE1 (0.48) BACE1HCRTR1HCRTR2TACR1
SCHEMBL3479509 0.87 BACE1 (0.64) BACE1
SCHEMBL3479463 0.87 BACE1 (0.64) BACE1
SCHEMBL3479630 0.87 BACE1 (0.64) BACE1
SCHEMBL3479620 0.87 CACNA1F (0.41) BACE1TACR1
SCHEMBL3479542 0.86 BACE1 (0.45) BACE1
SCHEMBL13031031 0.86 BACE1 (0.45) BACE1
Trifluoroacetic Acid SCHEMBL3479366 0.83 BACE1 (0.41) BACE1
Trifluoroacetic Acid SCHEMBL3479659 0.83 BACE1 (0.41) BACE1
Trifluoroacetic Acid SCHEMBL3479500 0.82 BACE1 (0.58) 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 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

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 1/4885HCRTR1 1747/4885HCRTR2 1248/4885

“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.