SCHEMBL13461553

SCHEMBL13461553

CCN1CC[C@@]2(C[C@@H]1C)C(N1Cc3ccccc3C1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.38
PRMT5 O14744 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL13461566 0.90 BACE1 (0.38) BACE1MAPK1
SCHEMBL13461506 0.89 BACE1 (0.39) BACE1
SCHEMBL13461610 0.89 BACE1 (0.37) BACE1MAPK1
SCHEMBL3493318 0.89 BACE1 (0.36) BACE1PRMT5ALDH1A1
SCHEMBL3493313 0.89 BACE1 (0.36) BACE1PRMT5ALDH1A1
SCHEMBL13461507 0.87 BACE1 (0.36) BACE1MAPK1
SCHEMBL13461609 0.85 BACE1 (0.37) BACE1
SCHEMBL13461608 0.84 BACE1 (0.38) BACE1
SCHEMBL8202400 0.84 BPTF (0.39) BACE1MAPK1
SCHEMBL13461559 0.84 BACE1 (0.36) BACE1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293759-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2012-10-23 US disclosed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 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-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP BACE1 1/4885PRMT5 2826/4885ALDH1A1 448/4885

“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.