SCHEMBL2584476

SCHEMBL2584476

CC(C)(C)OC(=O)NCc1ccc(CNC(=O)C2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51
NAMPT P43490 2/20 0.51
FPR3 P25089 1/20 0.51
FPR2 P25090 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 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
SCHEMBL30182518 0.89 NAMPT (0.59) LMNANAMPTFPR3FPR2L3MBTL1
SCHEMBL30182404 0.89 NAMPT (0.59) LMNANAMPTFPR3FPR2L3MBTL1
SCHEMBL23899184 0.89 NAMPT (0.59) LMNANAMPTFPR3FPR2L3MBTL1
SCHEMBL23899088 0.89 NAMPT (0.53) ALDH1A1LMNASMN1; SMN2HPGDUSP2
SCHEMBL13741883 0.86 KMT2A (0.56) ALDH1A1HPGDPKM
SCHEMBL3180689 0.86 L3MBTL1 (0.61) NAMPTFPR3FPR2L3MBTL1GAA
SCHEMBL7769975 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDUSP2
SCHEMBL7773979 0.82 GLS (0.45) ALDH1A1HPGDUSP2NPC1PKM
SCHEMBL24891725 0.82 NAMPT (0.52) ALDH1A1LMNANAMPTFPR3FPR2
SCHEMBL7773978 0.82 GLS (0.45) ALDH1A1HPGDUSP2NPC1PKM

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 11 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
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
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

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 ALDH1A1 397/4885LMNA 4572/4885SMN1; SMN2 4163/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ALDH1A1 397/4885LMNA 4572/4885SMN1; SMN2 4163/4885

“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.