SCHEMBL450080

SCHEMBL450080

CC=C1CC(C)(C)Cc2ccc(-c3cncnc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.44
CTSD P07339 11/20 0.44
BACE2 Q9Y5Z0 1/20 0.38
OTUD7B Q6GQQ9 2/20 0.35
ERN1 O75460 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL450079 1.00 BACE1 (0.44) BACE1CTSDBACE2OTUD7BERN1
SCHEMBL446547 0.79 BACE1 (0.49) BACE1CTSDBACE2OTUD7B
SCHEMBL17675689 0.64 BACE1 (0.39) BACE1CTSDBACE2OTUD7B
SCHEMBL17675535 0.64 BACE1 (0.38) BACE1CTSDBACE2
SCHEMBL4175386 0.61 PGR (0.67)
SCHEMBL22202070 0.61 PDE3B (0.71) OTUD7B
SCHEMBL13229550 0.61 CYP19A1 (0.37)
SCHEMBL13229282 0.61 CYP19A1 (0.37)
SCHEMBL1119981 0.60 CYP11B1 (0.72) OTUD7B
SCHEMBL30285494 0.59 PARP10 (0.54)

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-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 427/4885BACE2 4/4885

“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.