SCHEMBL10324919

SCHEMBL10324919

CN1CC(NC(=O)OC(C)(C)C)=NC(C)(c2cc(Br)ccc2F)C1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.45
BACE2 Q9Y5Z0 5/20 0.37
CTSD P07339 2/20 0.36
AAK1 Q2M2I8 4/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA6 Q16445 1/20 0.35
USP30 Q70CQ3 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
SCHEMBL10326140 0.89 BACE1 (0.37) BACE1BACE2CTSD
SCHEMBL2153265 0.87 BACE1 (0.49) BACE1BACE2
SCHEMBL568040 0.76 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL568041 0.76 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL2154201 0.74 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL14861722 0.74 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL2153448 0.74 USP30 (0.39) BACE1AAK1USP30
SCHEMBL20290353 0.72 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL361841 0.72 BACE1 (0.49) BACE1BACE2
SCHEMBL10325834 0.71 BACE1 (0.41) BACE1BACE2CTSDAAK1

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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO 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 1/4885CTSD 77/4885

“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.