SCHEMBL22327661

SCHEMBL22327661

COCCCN(C(=O)OCC(C)C)[C@@H](C)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ LMNA P02545 5/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL21798421 0.83 LMNA (0.41) LMNANPSR1HTTL3MBTL1SMN1; SMN2
SCHEMBL21798423 0.83 LMNA (0.41) LMNANPSR1HTTL3MBTL1SMN1; SMN2
SCHEMBL15241507 0.70 LPAR1 (0.37) LMNAMAPTHTTSMN1; SMN2GAA
SCHEMBL18380905 0.69 ALDH1A1 (0.39) MAPTHTT
SCHEMBL13077090 0.69 SLC6A4 (0.42) ALOX5HTT
SCHEMBL10184379 0.68 ESR1 (0.40) MAPTSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL13899580 0.68 ESR1 (0.40) MAPTSMN1; SMN2GAAMAPK1NR1H3
SCHEMBL13105775 0.68 CHRNB2 (0.43) LMNASMN1; SMN2
SCHEMBL31126982 0.67 ALDH1A1 (0.43) LMNANPSR1MAPTL3MBTL1MAPK1
SCHEMBL13906104 0.67 TSHR (0.36) SMN1; SMN2GAAMAPK1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738064-B2 Chiral α-amino tertiary boronic esters PURDUE RESEARCH FOUNDATION (US) 2020-08-11 — — 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-10738064-B2 Chiral α-amino tertiary boronic esters HBB, BCAT1, BCAT2 CACNA1F 3762/4885CACNA1D 3891/4885CACNA1S 3305/4885

“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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