SCHEMBL864743

SCHEMBL864743

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
MC4R P32245 1/20 0.44
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.38
SCN9A Q15858 3/20 0.37
USP30 Q70CQ3 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL864744 1.00 ROCK1 (0.46) ROCK1MC4RPRMT5WDR77AAK1
SCHEMBL864981 0.90 ROCK1 (0.45) ROCK1MC4RPRMT5WDR77AAK1
SCHEMBL864980 0.90 ROCK1 (0.45) ROCK1MC4RPRMT5WDR77AAK1
SCHEMBL864982 0.90 ROCK1 (0.45) ROCK1MC4RPRMT5WDR77AAK1
SCHEMBL25528857 0.86 AAK1 (0.45) ROCK1PRMT5WDR77AAK1CTSS
SCHEMBL17002747 0.86 CTSS (0.46) ROCK1PRMT5WDR77AAK1CTSS
SCHEMBL17258271 0.86 AAK1 (0.45) ROCK1PRMT5WDR77AAK1CTSS
SCHEMBL17258286 0.86 AAK1 (0.45) ROCK1PRMT5WDR77AAK1CTSS
SCHEMBL13598868 0.85 KMT2A (0.48) PRMT5WDR77AAK1CTSSCTSK
SCHEMBL23157156 0.84 KMT2A (0.47) PRMT5WDR77AAK1CTSSCTSK

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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 ROCK1 4130/4885MC4R 51/4885PRMT5 2179/4885

“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.