SCHEMBL2684313

SCHEMBL2684313

CC(C)(C)OC(=O)C(Cc1ccccc1)C(=O)N1CCc2c(C(=O)O)cc(-c3ccncc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
BUB1 O43683 1/20 0.34
ROCK2 O75116 3/20 0.34
UCHL1 P09936 2/20 0.34
USP30 Q70CQ3 2/20 0.34
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPY2R P49146 1/20 0.32
MLYCD O95822 1/20 0.32
WDR5 P61964 1/20 0.32
RPS6KA5 O75582 1/20 0.32
RPS6KA4 O75676 1/20 0.32
PRKACA P17612 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3B P49841 1/20 0.32
PRKX P51817 1/20 0.32
LIMK1 P53667 1/20 0.32

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
SCHEMBL2684309 1.00 PRKCI (0.37) PRKCIBUB1ROCK2UCHL1USP30
SCHEMBL3719642 0.93 PRKCI (0.38) PRKCIBUB1ROCK2UCHL1USP30
SCHEMBL3719644 0.93 PRKCI (0.38) PRKCIBUB1ROCK2UCHL1USP30
SCHEMBL2685211 0.92 PRKCI (0.39) PRKCIBUB1ROCK2USP30ADORA1
SCHEMBL2685213 0.92 PRKCI (0.39) PRKCIBUB1ROCK2USP30ADORA1
SCHEMBL5960681 0.86 ADORA1 (0.44) ADORA1MAPK1
SCHEMBL2684046 0.82 GPR142 (0.41) TSHRHDAC8
SCHEMBL5960682 0.79 ADORA1 (0.45) ADORA1MAPK1
SCHEMBL5960618 0.79 ADORA1 (0.45) ADORA1MAPK1
SCHEMBL5960656 0.79 ADORA1 (0.44) ADORA1MAPK1

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 PRKCI 1661/4885BUB1 4126/4885ROCK2 2870/4885

“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.