SCHEMBL2585027

SCHEMBL2585027

CC(C)(C)OC(=O)NCc1ccc(CN)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
NAMPT P43490 3/20 0.47
CYP3A4 P08684 1/20 0.44
GRM2 Q14416 1/20 0.43
HDAC1 Q13547 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30006337 0.88 L3MBTL1 (0.54) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL2586887 0.88 L3MBTL1 (0.54) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL2580613 0.86 L3MBTL1 (0.50) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL31087497 0.85 NAMPT (0.49) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL30625716 0.85 NAMPT (0.49) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL28576892 0.85 L3MBTL1 (0.46) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL15709775 0.84 L3MBTL1 (0.48) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL30517227 0.83 L3MBTL1 (0.52) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL1432994 0.83 L3MBTL1 (0.52) L3MBTL1NAMPTCYP3A4GRM2HDAC1
SCHEMBL12184770 0.82 L3MBTL1 (0.48) L3MBTL1NAMPTCYP3A4GRM2HDAC1

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 8 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
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
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
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

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 L3MBTL1 2883/4885NAMPT 4696/4885CYP3A4 504/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A L3MBTL1 2883/4885NAMPT 4696/4885CYP3A4 504/4885

“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.