SCHEMBL13461555

SCHEMBL13461555

CCCC1CCCN1C1=NC(=O)N(c2cccc(F)c2)[C@@]12CCN(CC)[C@@H](C)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.34
BACE2 Q9Y5Z0 1/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
MAPK1 P28482 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL13461561 0.91 BACE1 (0.38) BACE1ADRA1AHRH1ADRA1BHRH3
SCHEMBL3493314 0.91 BACE1 (0.32) BACE1
SCHEMBL3493316 0.91 BACE1 (0.32) BACE1
SCHEMBL13461559 0.91 BACE1 (0.36) BACE1BACE2MMP14ADAMTS5MAPK1
SCHEMBL13461452 0.90 BACE1 (0.39) BACE1ADRA1AHRH1ADRA1BHRH3
SCHEMBL13461509 0.86 BACE1 (0.37) BACE1
SCHEMBL13461566 0.84 BACE1 (0.38) BACE1MAPK1
SCHEMBL13461610 0.84 BACE1 (0.37) BACE1BACE2MAPK1
SCHEMBL13461453 0.83 BACE1 (0.34) BACE1BACE2MMP14ADAMTS5
SCHEMBL13461608 0.83 BACE1 (0.38) 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 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 1/4885BACE2 2/4885MMP14 1092/4885

“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.