SCHEMBL755040

SCHEMBL755040

C[C@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)C(N[C@@H]1CCCC[C@H]1F)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TMEM97 Q5BJF2 5/20 0.35
SIGMAR1 Q99720 5/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
FKBP1A P62942 2/20 0.35
AADAT Q8N5Z0 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
SCHEMBL760152 1.00 BACE1 (0.37) BACE1PDK1PDK2PDK3PDK4
SCHEMBL10293166 1.00 BACE1 (0.37) BACE1PDK1PDK2PDK3PDK4
SCHEMBL756887 1.00 BACE1 (0.37) BACE1PDK1PDK2PDK3PDK4
SCHEMBL10293167 1.00 BACE1 (0.37) BACE1PDK1PDK2PDK3PDK4
SCHEMBL14640804 1.00 BACE1 (0.37) BACE1PDK1PDK2PDK3PDK4
SCHEMBL8247533 0.91 BACE1 (0.40) BACE1PDK1PDK2PDK3PDK4
SCHEMBL758064 0.91 BACE1 (0.40) BACE1PDK1PDK2PDK3PDK4
SCHEMBL5616293 0.89 BACE1 (0.35) BACE1BACE2
SCHEMBL5616430 0.89 BACE1 (0.35) BACE1BACE2
SCHEMBL756120 0.88 PDK1 (0.38) BACE1PDK1PDK2PDK3PDK4

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-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 BACE1 1/4885PDK1 1880/4885PDK2 1666/4885

“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.