SCHEMBL2580324

SCHEMBL2580324

CN(C)C(=O)Sc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
CYP2A6 P11509 1/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GSK3B P49841 2/20 0.38
NSD2 O96028 1/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL9495594 0.95 MMP3 (0.44) ALDH1A1MAOAMAOBCA2CA1
SCHEMBL9797395 0.92 CA1 (0.43) ALDH1A1MAOAMAOBCA2CA1
SCHEMBL9662383 0.89 TSHR (0.40) ALDH1A1MAOAMAOBCA2CA1
SCHEMBL9352583 0.85 NCEH1 (0.45) ALDH1A1CA2CA1MAPTMEN1
SCHEMBL20244667 0.84 ALDH1A1 (0.53) ALDH1A1HTTMAPTHPGDKMT2A
SCHEMBL5388035 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL4891100 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL5784328 0.80 ALDH1A1 (0.42) ALDH1A1GSK3BHTTMAPTKDM4E
SCHEMBL30211933 0.79 MAOA (0.45) ALDH1A1MAOAMAOBCA2CA1
SCHEMBL9797697 0.78 GSK3B (0.43) GSK3BHTTKDM4E

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
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-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
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
EP-0410244-A1 Leukotriene antagonists BAYER AG (DE) 1991-01-30 EP disclosed
US-4740514-A Tetrazole substituted compounds and their anti-allergic use LILLY INDUSTRIES LIMITED (GB) 1988-04-26 US disclosed
US-4595540-A Benzonitrile and benzothiocyano intermediates LILLY INDUSTRIES LIMITED (GB) 1986-06-17 US disclosed
EP-0110541-A1 Organic compounds and their pharmaceutical use Lilly Industries Limited (GB) 1984-06-13 EP 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 397/4885MAOA 327/4885MAOB 380/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ALDH1A1 397/4885MAOA 327/4885MAOB 380/4885

“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.