SCHEMBL4512483

SCHEMBL4512483

CC(C)(C)OC(=O)N(c1ccc(-c2ccncc2)cc1)[C@H](Cc1ccccc1F)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
MGLL Q99685 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
CYP17A1 P05093 2/20 0.34
HDAC4 P56524 1/20 0.34
ROCK1 Q13464 3/20 0.34
PAX8 Q06710 1/20 0.34
PRKACA P17612 1/20 0.34
SCN9A Q15858 2/20 0.33
BTK Q06187 1/20 0.33
F2 P00734 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4525700 0.88 P2RX7 (0.39) MGLLAAK1CYP17A1ROCK1PAX8
SCHEMBL4527461 0.84 GRM2 (0.41) CTSSCTSKDPP4DPP8MGLL
SCHEMBL4514379 0.84 GRM2 (0.41) CTSSCTSKDPP4DPP8MGLL
SCHEMBL4524959 0.83 ROCK1 (0.51) CTSSCTSKMGLLROCK1PRKACA
SCHEMBL4531527 0.83 CDK4 (0.49) CTSSCTSK
SCHEMBL4526796 0.82 KIF11 (0.39) MGLLAAK1CYP17A1ROCK1PRKACA
SCHEMBL4514249 0.81 ROCK2 (0.37) ROCK1PRKACAROCK2
SCHEMBL4512482 0.81 CTSS (0.38) CTSSCTSKDPP4DPP8AAK1
SCHEMBL4517315 0.80 ROCK2 (0.44) CYP17A1ROCK1PRKACAROCK2
SCHEMBL4519180 0.80 GPR142 (0.41) CYP17A1ROCK1PRKACAROCK2CYP19A1

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 CTSS 2190/4885CTSK 1797/4885DPP4 2060/4885

“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.