SCHEMBL2435120

SCHEMBL2435120

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
BACE1 P56817 3/20 0.38
PKM P14618 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
HTR2C P28335 2/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL14315421 1.00 PDK1 (0.40) PDK1PDK2PDK3PDK4BACE1
SCHEMBL10262712 0.85 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1
SCHEMBL755093 0.85 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1
SCHEMBL14248524 0.85 ADAMTS5 (0.36) BACE1
SCHEMBL2819817 0.84 KDM4E (0.40) PDK1PDK2PDK3PDK4BACE1
SCHEMBL2819818 0.84 KDM4E (0.40) PDK1PDK2PDK3PDK4BACE1
SCHEMBL2437418 0.83 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1
SCHEMBL7715536 0.83 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1
SCHEMBL2556177 0.83 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1
SCHEMBL2554666 0.83 BACE1 (0.43) PDK1PDK2PDK3PDK4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B PDK1 3030/4885PDK2 3827/4885PDK3 3723/4885

“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.