SCHEMBL2589540

SCHEMBL2589540

CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
FPR3 P25089 1/20 0.51
FPR2 P25090 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GAA P10253 1/20 0.48
CYP17A1 P05093 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 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
SCHEMBL19694494 0.87 NAMPT (0.62) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL3180689 0.86 L3MBTL1 (0.61) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL8253777 0.85 NAMPT (0.60) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL16193025 0.85 NAMPT (0.60) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL23899245 0.84 NAMPT (0.72) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL4887467 0.84 NAMPT (0.59) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL8258345 0.84 NAMPT (0.59) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL28731111 0.84 NAMPT (0.59) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL732456 0.83 NAMPT (0.57) NAMPTL3MBTL1MAPTTDP1FPR3
SCHEMBL15692011 0.83 NAMPT (0.58) NAMPTL3MBTL1MAPTTDP1FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A NAMPT 4696/4885L3MBTL1 2883/4885MAPT 4626/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A NAMPT 4696/4885L3MBTL1 2883/4885MAPT 4626/4885

“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.