SCHEMBL429287

SCHEMBL429287

[C-]#[N+]CCCc1ccc2c(c1)C1(COC(N)=N1)CC(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.54
CTSD P07339 7/20 0.54
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 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
SCHEMBL448239 0.83 BACE1 (0.54) BACE1CTSDTAAR1KCNH2
SCHEMBL427994 0.82 BACE1 (0.57) BACE1CTSDTAAR1
SCHEMBL445389 0.75 BACE1 (0.65) BACE1CTSDTAAR1
SCHEMBL427898 0.73 BACE1 (0.56) BACE1CTSD
SCHEMBL430504 0.70 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL429086 0.70 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL427982 0.70 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL7719692 0.70 BACE1 (0.74) BACE1CTSDKCNH2
SCHEMBL429283 0.70 BACE1 (0.58) BACE1CTSD
SCHEMBL430500 0.69 BACE1 (0.77) BACE1CTSDTAAR1

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 2/4885CTSD 427/4885TAAR1 2698/4885

“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.