SCHEMBL5355133

SCHEMBL5355133

CSN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.46
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
AAK1 Q2M2I8 2/20 0.37
REN P00797 2/20 0.37
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMB10 P40306 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5349098 0.80 CACNA1B (0.51) CACNA1BCTSSCTSKCTSLCTSB
SCHEMBL5351306 0.77 CTSS (0.48) CACNA1BCTSSCTSKCTSLCTSB
SCHEMBL5351826 0.76 CACNA1B (0.43) CACNA1BCTSSCTSKCTSLCTSB
SCHEMBL5355126 0.75 MAPK14 (0.42) CACNA1BCTSSCTSKCTSLREN
SCHEMBL5355122 0.75 CACNA1B (0.45) CACNA1BCTSSCTSKCTSLREN
SCHEMBL9089830 0.73 CTSS (0.56) CTSSCTSKCTSLAAK1
SCHEMBL27539175 0.73 CTSS (0.56) CTSSCTSKCTSLAAK1
SCHEMBL28695448 0.72 ACE (0.54) CTSSCTSKCTSLCTSB
SCHEMBL28713500 0.72 ACE (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5351397 0.71 CTSK (0.49) CACNA1BCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US 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 1/4885CTSS 1885/4885CTSK 3691/4885

“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.