SCHEMBL4530672

SCHEMBL4530672

N[C@H](Cc1ccccc1)C(=O)N(c1ccc(-c2ccncc2)cc1)C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
GPR142 Q7Z601 3/20 0.40
CIT O14578 1/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN2 Q16513 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39

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
SCHEMBL4525258 0.85 CHRM2 (0.49) OPRD1KCNH2HRH3DPP4FAP
SCHEMBL4530676 0.80 GPR142 (0.40) GPR142ROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL4533602 0.76 CIT (0.61) GPR142CITROCK2ROCK1RPS6KA5
SCHEMBL4518611 0.75 GPR142 (0.46) GPR142CITROCK2ROCK1RPS6KA5
SCHEMBL16993968 0.69 ALPI (0.51) GPR142CITMC4RMC5RMC3R
SCHEMBL4520248 0.68 CIT (0.43) GPR142CITROCK2ROCK1RPS6KA5
SCHEMBL10261003 0.67 GPR142 (0.52) GPR142ROCK2ROCK1
SCHEMBL31398347 0.67 SLC7A5 (0.61) KCNH2ALPIPKMPTGS1XIAP
SCHEMBL5027971 0.67 CYP17A1 (0.50) GPR142ROCK2ROCK1RPS6KA5RPS6KA4
SCHEMBL2802593 0.66 ROCK2 (0.64) GPR142CITROCK2ROCK1RPS6KA5

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-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

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 OPRD1 4161/4885GPR142 3166/4885CIT 7/4885

“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.