SCHEMBL4514249

SCHEMBL4514249

CC(C)(C)OC(=O)N(c1ccc(-c2ccncc2F)cc1)[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.37
PRKCI P41743 6/20 0.36
ROCK1 Q13464 5/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 1/20 0.36
PSMA3 P25788 1/20 0.36
PSMA4 P25789 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMA5 P28066 1/20 0.36
PSMB4 P28070 1/20 0.36
PSMB6 P28072 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB3 P49720 1/20 0.36
PSMB2 P49721 1/20 0.36
PSMA6 P60900 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
SCHEMBL4514247 0.82 CIT (0.45) ROCK2PRKCIROCK1CYP3A4CYP2C9
SCHEMBL4514379 0.82 GRM2 (0.41) ROCK1
SCHEMBL4527461 0.82 GRM2 (0.41) ROCK1
SCHEMBL4512483 0.81 CTSS (0.38) ROCK2ROCK1PRKACA
SCHEMBL4524959 0.80 ROCK1 (0.51) ROCK2ROCK1PRKACAGSK3BCLK4
SCHEMBL4528518 0.79 CTSS (0.39)
SCHEMBL4526796 0.79 KIF11 (0.39) ROCK2ROCK1PRKACAGSK3BPRKX
SCHEMBL4517315 0.78 ROCK2 (0.44) ROCK2ROCK1CYP3A4CYP2C9PRKACA
SCHEMBL4533235 0.77 CYP17A1 (0.39) ROCK2ROCK1PRKACAPRKXCLK4
SCHEMBL4519180 0.77 GPR142 (0.41) ROCK2ROCK1PRKACAGSK3BCLK4

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885PRKCI 79/4885ROCK1 1/4885

“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.