SCHEMBL448007

SCHEMBL448007

CN1C(=O)CC2(CC(C)(C)Cc3ccc(Br)cc32)N=C1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.56
GAA P10253 1/20 0.33
BCL2 P10415 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL7961076 0.80 BACE1 (0.55) BACE1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL447340 0.79 BACE1 (0.45) BACE1BCL2CYP1A2CYP3A4CYP2C9
SCHEMBL447140 0.77 BACE1 (0.45) BACE1BCL2CYP1A2CYP3A4CYP2C9
SCHEMBL10261540 0.76 BACE1 (0.49) BACE1GAABACE2GSK3BDYRK1A
SCHEMBL16230150 0.75 BACE1 (0.84) BACE1
SCHEMBL15976459 0.75 BACE1 (0.47) BACE1BCL2
SCHEMBL7889288 0.72 BACE1 (1.00) BACE1
SCHEMBL30105758 0.72 BACE1 (0.48) BACE1BACE2
SCHEMBL9611572 0.71 BACE1 (0.49) BACE1
SCHEMBL568040 0.70 BACE1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885GAA 287/4885BCL2 156/4885

“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.