SCHEMBL892751

SCHEMBL892751

CN1C(=O)[C@@]2(N=C1N)c1cc(Br)c(F)cc1O[C@H]1CCCO[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
CTSB P07858 4/20 0.62
CTSD P07339 16/20 0.49
APP P05067 1/20 0.36
BACE2 Q9Y5Z0 1/20 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
SCHEMBL892455 1.00 BACE1 (0.62) BACE1CTSBCTSDAPPBACE2
SCHEMBL891559 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL892467 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL10266079 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL877226 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL892537 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL10209735 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL10209734 0.85 BACE1 (0.67) BACE1CTSBCTSD
SCHEMBL891507 0.82 BACE1 (0.80) BACE1CTSBCTSDBACE2
SCHEMBL891696 0.82 BACE1 (0.80) BACE1CTSBCTSDBACE2

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885CTSB 87/4885CTSD 224/4885

“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.