SCHEMBL2578780

SCHEMBL2578780

CC(C)(C)CNC(=O)COc1ccc(CN)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
PDE4B Q07343 5/20 0.38
GAA P10253 1/20 0.38
KLKB1 P03952 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TPSAB1 Q15661 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2584762 0.79 KDM4E (0.39) KDM4EKLKB1L3MBTL1LOXL2MAPT
SCHEMBL15432945 0.73 SMN1; SMN2 (0.41) KDM4ELOXL2MEN1KMT2AMAPT
SCHEMBL2584667 0.72 TPSAB1 (0.49) PDE4BL3MBTL1TPSAB1LOXL2MAPT
SCHEMBL176060 0.71 LOXL2 (0.37) KDM4EGAAKLKB1TSHRTPSAB1
SCHEMBL507380 0.71 MCHR1 (0.39) LOXL2
SCHEMBL1461744 0.71 L3MBTL1 (0.36) L3MBTL1LOXL2CHRM1MAPT
SCHEMBL17307321 0.71 KMT2A (0.52) KDM4ELMNAGAAMEN1KMT2A
SCHEMBL17307350 0.71 KDM4E (0.60) KDM4EPOLBLMNAGAAL3MBTL1
SCHEMBL5013531 0.70 NNMT (0.46) KDM4ELMNAKLKB1LOXL2MEN1
SCHEMBL2578675 0.70 TPSAB1 (0.53) KDM4EPOLBLMNAL3MBTL1TPSAB1

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 12 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
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
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 KDM4E 1098/4885POLB 4620/4885LMNA 4572/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A KDM4E 1098/4885POLB 4620/4885LMNA 4572/4885

“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.