SCHEMBL446547

SCHEMBL446547

CC1(C)CC(=O)c2cc(-c3cncnc3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.49
CTSD P07339 8/20 0.49
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
GRM5 P41594 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.39
OTUD7B Q6GQQ9 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALPL P05186 1/20 0.39
PGR P06401 2/20 0.38
TDP2 O95551 1/20 0.38
THRB P10828 1/20 0.37

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 0.79 BACE1 (0.44) BACE1CTSDBACE2OTUD7B
SCHEMBL450080 0.79 BACE1 (0.44) BACE1CTSDBACE2OTUD7B
SCHEMBL2175942 0.72 PBRM1 (0.55) ALDH1A1HTTCYP2C19
SCHEMBL23376900 0.72 MEN1 (0.49) ALDH1A1HTTGRM5CYP2C19ALPL
SCHEMBL427867 0.72 ALDH1A1 (0.44) ALDH1A1HTTCYP2C19TDP2THRB
SCHEMBL17675689 0.72 BACE1 (0.39) BACE1CTSDBACE2OTUD7B
SCHEMBL2175443 0.70 PDE3B (0.50) ALDH1A1ALPL
SCHEMBL5353546 0.68 LMNA (0.51) ALDH1A1HTTGRM5CYP2C19TDP2
SCHEMBL430349 0.67 BACE1 (1.00) BACE1CTSD
SCHEMBL30285494 0.67 PARP10 (0.54) TDP2

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 427/4885ALDH1A1 878/4885

“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.