SCHEMBL949523

SCHEMBL949523

CC(C)(C)N(C(=O)O)C1=N[C@@]2(c3cccc(Br)c3)CCC[C@H]2CS1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL968591 0.86 CHRNA1 (0.30)
SCHEMBL967770 0.86 CHRNA1 (0.30)
SCHEMBL2118460 0.86 BACE1 (0.33) BACE1CTSDBACE2
SCHEMBL2108617 0.86 BACE1 (0.33) BACE1BACE2
SCHEMBL2107925 0.86 BACE1 (0.33) BACE1CTSDBACE2
SCHEMBL2117174 0.86 BACE1 (0.33) BACE1BACE2
SCHEMBL2121631 0.83 CHRNA1 (0.35) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2108098 0.83 CHRNA1 (0.35) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2117414 0.83 CHRNA1 (0.35) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL969478 0.82 BACE1 (0.36) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885CTSD 28/4885SCN1A 1025/4885

“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.