SCHEMBL507975

SCHEMBL507975

CC(C)(C)OC(=O)NCc1ccc(O)cc1.[Ar]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
NAMPT P43490 2/20 0.52
HDAC1 Q13547 2/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 1/20 0.49
MIF P14174 1/20 0.48
KDM4A O75164 1/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NQO2 P16083 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL506202 0.98 GAA (0.57) GAAL3MBTL1NAMPTHDAC1CTSS
SCHEMBL2567630 0.94 HDAC1 (0.57) GAAL3MBTL1NAMPTHDAC1CTSS
SCHEMBL3180689 0.91 L3MBTL1 (0.61) GAAL3MBTL1NAMPTHDAC1CTSK
SCHEMBL13833567 0.85 GAA (0.55) GAAL3MBTL1NAMPTHDAC1CA1
SCHEMBL15259134 0.85 L3MBTL1 (0.56) GAAL3MBTL1NAMPTHDAC1CA1
SCHEMBL1164796 0.85 L3MBTL1 (0.56) GAAL3MBTL1NAMPTHDAC1CA1
SCHEMBL12685839 0.85 L3MBTL1 (0.56) GAAL3MBTL1NAMPTHDAC1CTSK
SCHEMBL8372079 0.85 L3MBTL1 (0.56) GAAL3MBTL1NAMPTHDAC1CTSK
SCHEMBL5796279 0.85 L3MBTL1 (0.56) GAAL3MBTL1NAMPTHDAC1CA1
SCHEMBL18715500 0.84 L3MBTL1 (0.52) GAAL3MBTL1NAMPTHDAC1CA1

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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A GAA 3773/4885L3MBTL1 3191/4885NAMPT 4611/4885

“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.