SCHEMBL5364327

SCHEMBL5364327

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.59
PTGES O14684 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
POLB P06746 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 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
SCHEMBL5759150 0.84 CACNA1B (0.49) CACNA1BPTGESTAS2R14SMN1; SMN2ALDH1A1
SCHEMBL5759155 0.80 CACNA1B (0.51) CACNA1BPTGESTAS2R14SMN1; SMN2ALDH1A1
SCHEMBL5364313 0.74 CACNA1B (1.00) CACNA1BALDH1A1
SCHEMBL5343462 0.74 CACNA1B (0.40) CACNA1BSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL5364318 0.74 CACNA1B (0.61) CACNA1BPTGESTAS2R14SMN1; SMN2ALDH1A1
SCHEMBL5351860 0.70 SMN1; SMN2 (0.51) CACNA1BSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5759147 0.70 CACNA1B (0.52) CACNA1BPTGESTAS2R14SMN1; SMN2ALDH1A1
SCHEMBL5356390 0.69 CACNA1B (0.57) CACNA1BPTGESTAS2R14SMN1; SMN2ALDH1A1
SCHEMBL28001541 0.68 L3MBTL1 (0.45) CACNA1BSMN1; SMN2ALDH1A1HTTNPC1
SCHEMBL20131479 0.68 SMN1; SMN2 (0.59) CACNA1BSMN1; SMN2ALDH1A1HTTMEN1

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 1/4885PTGES 358/4885TAS2R14 3964/4885

“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.