SCHEMBL5069157

SCHEMBL5069157

CC(C)(C)N(C[C@@H](O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RIPK1 Q13546 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BCAT2 O15382 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 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
SCHEMBL5069152 1.00 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1527256 1.00 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8647625 0.87 TAAR1 (0.42) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28473074 0.87 TAAR1 (0.42) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5065719 0.85 CYP51A1 (0.39) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15812308 0.85 AOC3 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5065739 0.85 KYNU (0.50) AOC3KDM4EMEN1KMT2ALMNA
SCHEMBL5065117 0.84 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1
SCHEMBL1529441 0.83 RIPK1 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5069200 0.83 RIPK1 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2

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 3 patents. 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
US-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 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 (2 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-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase CYP1A1, NOS3, NOS1 AOC3 344/4885KDM4E 2763/4885MEN1 4808/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 AOC3 4778/4885KDM4E 2078/4885MEN1 3151/4885

“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.