SCHEMBL5960870

SCHEMBL5960870

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3ccnn3C3CCCCO3)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 9/20 0.46
▸ ACE P12821 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CCKAR P32238 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ REN P00797 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FPR2 P25090 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
SCHEMBL2684971 0.90 FPR2 (0.43) KMT2AGAAMAPTNPSR1FPR2
SCHEMBL2684969 0.90 FPR2 (0.43) KMT2AGAAMAPTNPSR1FPR2
SCHEMBL2684967 0.90 FPR2 (0.43) KMT2AGAAMAPTNPSR1FPR2
SCHEMBL5960587 0.81 SCN9A (0.48) SCN9AACEKMT2ACCKARCCKBR
SCHEMBL5960866 0.79 SCN9A (0.48) SCN9AACEKMT2ACCKARCCKBR
SCHEMBL2686135 0.78 SCN9A (0.47) SCN9AACEKMT2ACCKARCCKBR
SCHEMBL2686138 0.78 SCN9A (0.47) SCN9AACEKMT2ACCKARCCKBR
SCHEMBL2685671 0.78 SCN9A (0.51) SCN9AACEKMT2AFPR2
SCHEMBL2685669 0.78 SCN9A (0.51) SCN9AACEKMT2AFPR2
SCHEMBL5960068 0.78 NTRK1 (0.44) SCN9AACECCKARCCKBRREN

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 5 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
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 SCN9A 2166/4885ACE 1338/4885KMT2A 2444/4885

“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.

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