SCHEMBL4523323

SCHEMBL4523323

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.45
DPP4 P27487 3/20 0.40
TPH1 P17752 1/20 0.37
CYP17A1 P05093 1/20 0.37
FAP Q12884 2/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
POLB P06746 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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 0.87 GPR142 (0.43) GPR142DPP4TPH1CYP17A1CTSS
SCHEMBL4517312 0.87 GPR142 (0.43) GPR142CYP17A1
SCHEMBL4514376 0.87 GPR142 (0.43) GPR142DPP4TPH1CYP17A1CTSS
SCHEMBL4526794 0.86 TPH1 (0.39) GPR142DPP4TPH1CYP17A1FAP
SCHEMBL4533231 0.86 GPR142 (0.38) GPR142TPH1CYP17A1MMP12MMP13
SCHEMBL4519177 0.86 GPR142 (0.46) GPR142DPP4TPH1CYP17A1FAP
SCHEMBL4516262 0.84 MC4R (0.39) GPR142DPP4CYP17A1FAPDPP8
SCHEMBL4523329 0.82 GPR142 (0.40) GPR142DPP4CYP17A1MAPKAPK2CTSS
SCHEMBL4524956 0.80 ROCK1 (0.50) GPR142DPP4CYP17A1DPP8DPP9
SCHEMBL4525695 0.78 P2RX7 (0.38) CYP17A1GPR119

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 3166/4885DPP4 2060/4885TPH1 3464/4885

“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.