SCHEMBL431056

SCHEMBL431056

CN1C(=O)C2(CCCc3cnc(C#CC4CC4)cc32)N=C1N

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.46
CTSD P07339 6/20 0.39
REN P00797 4/20 0.39
CYP3A4 P08684 4/20 0.39
BACE2 Q9Y5Z0 4/20 0.39

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
SCHEMBL429165 0.81 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL7720227 0.80 BACE1 (0.43) BACE1CTSDBACE2
SCHEMBL448218 0.78 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL429062 0.71 BACE1 (0.59) BACE1CTSD
SCHEMBL427954 0.70 BACE1 (0.53) BACE1CTSD
SCHEMBL430737 0.70 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL431009 0.69 BACE1 (0.60) BACE1CTSD
SCHEMBL428986 0.69 BACE1 (0.70) BACE1CTSDBACE2
SCHEMBL12247462 0.68 BACE1 (0.58) BACE1CTSD
SCHEMBL15606184 0.66 BACE1 (0.41) BACE1CTSDBACE2

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-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

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 427/4885REN 659/4885

“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.