SCHEMBL2433619

SCHEMBL2433619

C[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.39
TBXAS1 P24557 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SOS1 Q07889 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
SCHEMBL2435034 0.92 BACE1 (0.41) BACE1DRD4
SCHEMBL2434126 0.90 BACE1 (0.40) BACE1SOS1
SCHEMBL2438146 0.85 BACE1 (0.42) BACE1TBXAS1DRD2DRD4DRD3
SCHEMBL2439264 0.83 DRD2 (0.44) BACE1DRD2DRD4DRD3
SCHEMBL2433335 0.80 BACE1 (0.43) BACE1
SCHEMBL2433988 0.79 BACE1 (0.49) BACE1
SCHEMBL2430760 0.78 BACE1 (0.42) BACE1
SCHEMBL2434388 0.77 BACE1 (0.46) BACE1DRD4
SCHEMBL2434187 0.77 BACE1 (0.41) BACE1
SCHEMBL2440423 0.76 BACE1 (0.63) 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 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 BACE1 1/4885TBXAS1 1046/4885DRD2 4398/4885

“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.