SCHEMBL5343453

SCHEMBL5343453

CN(C)c1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C(N)OCC2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
GAA P10253 2/20 0.37
CTSD P07339 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KLK7 P49862 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
CPB2 Q96IY4 1/20 0.35

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
SCHEMBL5356343 0.85 CTSD (0.37) CACNA1BGAACTSDALDH1A1CYP3A4
SCHEMBL5343448 0.77 CACNA1B (0.60) CACNA1BALDH1A1LMNA
SCHEMBL5351850 0.74 SMN1; SMN2 (0.48) ALDH1A1CPB2
SCHEMBL5364318 0.74 CACNA1B (0.61) CACNA1BALDH1A1HTT
SCHEMBL5343462 0.74 CACNA1B (0.40) CACNA1BGAAALDH1A1CYP3A4CYP1A2
SCHEMBL5356337 0.72 CACNA1B (0.46) CACNA1BCYP3A4
SCHEMBL5364189 0.72 ALDH1A1 (0.49) CACNA1BALDH1A1LMNACPB2
SCHEMBL5350928 0.71 ALDH1A1 (0.48) CACNA1BALDH1A1LMNACPB2
SCHEMBL5350147 0.70 ALDH1A1 (0.48) CACNA1BALDH1A1LMNACPB2
SCHEMBL5344896 0.70 ALDH1A1 (0.48) CACNA1BALDH1A1LMNACPB2

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 1/4885GAA 3754/4885CTSD 4241/4885

“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.