SCHEMBL15664245

SCHEMBL15664245

C[C@@]1(c2cc(N)ccc2F)COC(CF)(CF)C(N)=N1.N#Cc1cnc(C(=O)O)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 14/20 0.62
APP P05067 7/20 0.57
CYP3A4 P08684 2/20 0.57
CTSD P07339 2/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL15345234 0.85 BACE1 (0.87) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10473273 0.80 BACE1 (1.00) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10470848 0.80 BACE1 (1.00) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10325378 0.80 BACE1 (0.56) BACE1BACE2
SCHEMBL10325470 0.80 BACE1 (0.56) BACE1BACE2
SCHEMBL10470718 0.76 BACE1 (0.85) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10363376 0.76 BACE1 (1.00) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10469283 0.73 BACE1 (1.00) BACE1BACE2APPCYP3A4CTSD
SCHEMBL10325377 0.72 BACE1 (0.54) BACE1BACE2APPCYP3A4CYP2D6
SCHEMBL10325469 0.72 BACE1 (0.54) BACE1BACE2APPCYP3A4CYP2D6

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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP BACE1 2/4885BACE2 1/4885APP 5/4885

“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.