SCHEMBL5065117

SCHEMBL5065117

CC(C)(C)N(CC(O)c1cccnc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB3 P13945 5/20 0.42
ADRB1 P08588 1/20 0.42
CYP51A1 Q16850 6/20 0.41
KCNA5 P22460 1/20 0.40
TBXAS1 P24557 1/20 0.40

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
SCHEMBL1527256 0.84 AOC3 (0.51) SMN1; SMN2LMNAL3MBTL1
SCHEMBL5069152 0.84 AOC3 (0.51) SMN1; SMN2LMNAL3MBTL1
SCHEMBL5069157 0.84 AOC3 (0.51) SMN1; SMN2LMNAL3MBTL1
SCHEMBL5065719 0.82 CYP51A1 (0.39) SMN1; SMN2LMNAL3MBTL1ADRB3ADRB1
SCHEMBL4688450 0.77 CNR1 (0.44) KCNA5TBXAS1
SCHEMBL16115271 0.77 SLC6A2 (0.60) CYP51A1
SCHEMBL4540654 0.76 KCNA5 (0.64) KCNA5
SCHEMBL5065739 0.76 KYNU (0.50) LMNAADRB3ADRB1
SCHEMBL6319993 0.76 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1ADRB3CYP51A1
SCHEMBL8647625 0.75 TAAR1 (0.42) SMN1; SMN2L3MBTL1

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 SMN1; SMN2 3299/4885LMNA 3066/4885L3MBTL1 1699/4885

“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.