SCHEMBL2687476

SCHEMBL2687476

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(-c3n[nH]c(=O)o3)cc(-c3ccncc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.41
SCN9A Q15858 4/20 0.40
CCKAR P32238 4/20 0.40
CCKBR P32239 4/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
ACE P12821 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
AKT1 P31749 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL2687474 1.00 ADORA1 (0.41) ADORA1SCN9ACCKARCCKBREPHX2
SCHEMBL2685403 0.92 ADORA1 (0.41) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL2685405 0.92 ADORA1 (0.41) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL6031427 0.86 ADORA1 (0.41) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL5960681 0.85 ADORA1 (0.44) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL6032084 0.84 ADORA1 (0.43) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL2683886 0.83 NOTUM (0.40) AKT1
SCHEMBL2683880 0.83 NOTUM (0.40) AKT1
SCHEMBL5960684 0.82 ADORA1 (0.43) ADORA1SCN9ACCKARCCKBRKMT2A
SCHEMBL5960682 0.82 ADORA1 (0.45) ADORA1SCN9ACCKARCCKBRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A ADORA1 1763/4885SCN9A 2166/4885CCKAR 288/4885

“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.