SCHEMBL5364313

SCHEMBL5364313

COc1ccc(CN(C)C(=O)[C@H](COCC2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 1.00
PPARA Q07869 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARG P37231 2/20 0.42
LMNA P02545 1/20 0.42
SRC P12931 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB2 P49721 1/20 0.38
REN P00797 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL5356376 0.85 CACNA1B (0.73) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5345620 0.84 CACNA1B (0.73) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5345975 0.84 CACNA1B (0.73) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5350332 0.83 CACNA1B (0.71) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5354917 0.83 CACNA1B (0.71) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5342586 0.82 CACNA1B (0.70) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5356382 0.81 CACNA1B (0.69) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5349640 0.76 CACNA1B (0.62) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5349633 0.76 CACNA1B (0.62) CACNA1BPPARAALDH1A1PPARGLMNA
SCHEMBL5364318 0.76 CACNA1B (0.61) CACNA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CACNA1B 1/4885PPARA 4335/4885ALDH1A1 3065/4885

“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.