SCHEMBL4514376

SCHEMBL4514376

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccc(F)cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.43
CYP17A1 P05093 2/20 0.39
GRM2 Q14416 1/20 0.38
DPP4 P27487 3/20 0.37
TPH1 P17752 2/20 0.37
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAPK14 Q16539 2/20 0.35
ALOX5 P09917 1/20 0.35
NPR3 P17342 1/20 0.34
MME P08473 2/20 0.33
ACE P12821 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
SCHEMBL4527459 1.00 GPR142 (0.43) GPR142CYP17A1GRM2DPP4TPH1
SCHEMBL4526794 0.91 TPH1 (0.39) GPR142CYP17A1DPP4TPH1
SCHEMBL4517312 0.90 GPR142 (0.43) GPR142CYP17A1ROCK1
SCHEMBL4519177 0.89 GPR142 (0.46) GPR142CYP17A1DPP4TPH1ROCK1
SCHEMBL4533231 0.89 GPR142 (0.38) GPR142CYP17A1TPH1
SCHEMBL4524956 0.88 ROCK1 (0.50) GPR142CYP17A1DPP4CTSSCTSK
SCHEMBL4523323 0.87 GPR142 (0.45) GPR142CYP17A1DPP4TPH1MMP2
SCHEMBL4516262 0.86 MC4R (0.39) GPR142CYP17A1DPP4MMP2ROCK1
SCHEMBL4512482 0.85 CTSS (0.38) CYP17A1DPP4CTSSCTSKROCK1
SCHEMBL4514247 0.81 CIT (0.45) ROCK1

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 GPR142 3166/4885CYP17A1 3015/4885GRM2 2431/4885

“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.