SCHEMBL428052

SCHEMBL428052

CC1(C)CCc2ccc(-c3cncc(Cl)c3)cc2C12COC(N)=N2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
KCNH2 Q12809 4/20 0.64
CTSD P07339 1/20 0.60
APP P05067 4/20 0.53
CYP2D6 P10635 3/20 0.46

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
SCHEMBL430565 0.86 BACE1 (0.61) BACE1KCNH2CTSD
SCHEMBL14052998 0.86 BACE1 (0.60) BACE1KCNH2CTSDAPPCYP2D6
SCHEMBL14052997 0.86 BACE1 (0.60) BACE1KCNH2CTSDAPPCYP2D6
SCHEMBL430564 0.84 BACE1 (0.62) BACE1KCNH2CTSD
SCHEMBL14053510 0.82 BACE1 (0.58) BACE1KCNH2CTSDAPPCYP2D6
SCHEMBL14053512 0.82 BACE1 (0.58) BACE1KCNH2CTSDAPPCYP2D6
SCHEMBL15589233 0.78 BACE1 (1.00) BACE1KCNH2
SCHEMBL19530401 0.78 BACE1 (0.74) BACE1KCNH2CTSDAPP
SCHEMBL15588960 0.76 BACE1 (1.00) BACE1
SCHEMBL430541 0.76 BACE1 (0.62) BACE1KCNH2CTSD

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 5 patents. 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
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 BACE1 2/4885KCNH2 3230/4885CTSD 427/4885

“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.