SCHEMBL2369501

SCHEMBL2369501

CCC(C)(CC)CC(O)c1ccc(CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RECQL P46063 1/20 0.40
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
XBP1 P17861 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DYRK1A Q13627 1/20 0.37
POLB P06746 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL507486 0.90 NAMPT (0.47) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL507093 0.84 L3MBTL1 (0.46) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL506742 0.75 L3MBTL1 (0.53) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL1632519 0.75 L3MBTL1 (0.53) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL2585027 0.74 L3MBTL1 (0.50) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL31473455 0.74 GRM2 (0.45) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL27296580 0.74 GRM2 (0.45) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL507338 0.74 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL1632517 0.74 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTNPSR1RECQL
SCHEMBL16935746 0.74 L3MBTL1 (0.52) NAMPTL3MBTL1MAPTNPSR1RECQL

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-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
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 NAMPT 3730/4885L3MBTL1 3221/4885MAPT 4341/4885

“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.