SCHEMBL5960682

SCHEMBL5960682

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.45
KMT2A Q03164 2/20 0.43
ACE P12821 2/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.41
MAPK1 P28482 1/20 0.41
REN P00797 1/20 0.40
SCN9A Q15858 4/20 0.40
AKT1 P31749 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CYP3A4 P08684 1/20 0.39
PABPC1 P11940 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
SCHEMBL5960681 0.94 ADORA1 (0.44) ADORA1KMT2AACECTSSCTSK
SCHEMBL5960656 0.93 ADORA1 (0.44) ADORA1KMT2AACECTSSCTSK
SCHEMBL5960618 0.92 ADORA1 (0.45) ADORA1KMT2AACECTSSCTSK
SCHEMBL6028328 0.89 ADORA1 (0.41) ADORA1KMT2AACECTSSCTSK
SCHEMBL2685216 0.88 IKBKB (0.41) KMT2ACTSSCTSLMAPK1
SCHEMBL5960587 0.84 SCN9A (0.48) ADORA1KMT2AACECTSSCTSK
SCHEMBL6032084 0.83 ADORA1 (0.43) ADORA1KMT2AACECTSSCTSK
SCHEMBL5960684 0.83 ADORA1 (0.43) ADORA1KMT2AACECTSSCTSK
SCHEMBL6031427 0.83 ADORA1 (0.41) ADORA1KMT2AACECTSSCTSK
SCHEMBL2687476 0.82 ADORA1 (0.41) ADORA1KMT2AACECTSSCTSK

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 4 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-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 1763/4885KMT2A 2444/4885ACE 1338/4885

“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.