SCHEMBL2180287

SCHEMBL2180287

CC(C)(C)N(C(=O)O)C1CCC(Nc2nc(OCCF)c(C#N)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GPR6 P46095 6/20 0.33
IRAK4 Q9NWZ3 5/20 0.32
GPR119 Q8TDV5 1/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCD Q05655 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH1 P35367 1/20 0.32
RORC P51449 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
ACHE P22303 1/20 0.31
KCNH2 Q12809 1/20 0.31
MELK Q14680 1/20 0.31

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
SCHEMBL2180285 1.00 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL1936072 0.91 ROCK2 (0.39) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL1936073 0.91 ROCK2 (0.39) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2176008 0.90 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2176013 0.90 ROCK2 (0.38) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL1935669 0.89 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119PDE4A
SCHEMBL1935670 0.89 ROCK2 (0.37) ROCK2ROCK1IRAK4GPR119PDE4A
SCHEMBL2179085 0.89 ROCK2 (0.37) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL2179094 0.89 ROCK2 (0.37) ROCK2ROCK1GPR6IRAK4GPR119
SCHEMBL1937675 0.88 ROCK2 (0.47) ROCK2ROCK1GPR6IRAK4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885GPR6 1401/4885

“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.