SCHEMBL4094398

SCHEMBL4094398

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.57
PIM1 P11309 2/20 0.57
GSK3B P49841 2/20 0.57
CLK4 Q9HAZ1 4/20 0.54
STK17A Q9UEE5 3/20 0.54
DYRK1A Q13627 2/20 0.54
CLK2 P49760 3/20 0.53
RPS6KB1 P23443 2/20 0.53
ROCK1 Q13464 2/20 0.53
DYRK3 O43781 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
HDAC4 P56524 2/20 0.51
PIK3CD O00329 1/20 0.48
USP30 Q70CQ3 3/20 0.47
SCD5 Q86SK9 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
MAPK14 Q16539 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.45

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
SCHEMBL13901930 0.82 ROCK2 (0.67) ROCK2PIM1GSK3BCLK4STK17A
SCHEMBL3670760 0.82 ROCK2 (0.67) ROCK2PIM1GSK3BCLK4STK17A
SCHEMBL3669097 0.78 ROCK2 (0.65) ROCK2PIM1GSK3BCLK4STK17A
SCHEMBL4083317 0.77 NPC1 (0.52) HDAC4USP30SCD5HDAC6NPC1
SCHEMBL312320 0.77 ROCK2 (0.68) ROCK2ROCK1NPC1RAB9A
SCHEMBL21536314 0.77 RAB9A (0.64) HDAC4USP30SCD5NPC1RAB9A
SCHEMBL4262768 0.75 GPR119 (0.51) ROCK2CLK4STK17ADYRK1ACLK2
SCHEMBL3668427 0.74 ROCK2 (1.00) ROCK2PIM1GSK3BCLK4STK17A
SCHEMBL9952336 0.74 FASN (0.52) ROCK2PIK3CDMEN1KMT2A
SCHEMBL14514349 0.74 ROCK2 (0.63) ROCK2ROCK1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ROCK2 858/4885PIM1 616/4885GSK3B 1142/4885

“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.