SCHEMBL2584610

SCHEMBL2584610

CC(C)(C)OC(=O)NCc1ccc(C#CC2CCCCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NAMPT P43490 3/20 0.41
IGF1R P08069 1/20 0.40
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGES O14684 1/20 0.39
CYP3A4 P08684 2/20 0.39
EPHX1 P07099 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ROCK2 O75116 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
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
SCHEMBL2582015 0.83 FFAR1 (0.52) PTGES2L3MBTL1NAMPTEPHX1JAK2
SCHEMBL13825422 0.79 L3MBTL1 (0.46) L3MBTL1NAMPTIGF1RMAPTTDP1
SCHEMBL2586677 0.78 L3MBTL1 (0.52) L3MBTL1NAMPTMAPTTDP1RECQL
Hydrochloric Acid SCHEMBL6969707 0.77 L3MBTL1 (0.51) L3MBTL1NAMPTMAPTTDP1RECQL
SCHEMBL27256435 0.77 FFAR1 (0.49) L3MBTL1NAMPTMAPTTDP1RECQL
SCHEMBL506993 0.77 L3MBTL1 (0.44) L3MBTL1NAMPTIGF1RMAPTTDP1
SCHEMBL507418 0.76 L3MBTL1 (0.43) L3MBTL1NAMPTIGF1RCYP3A4EPHX1
SCHEMBL2581900 0.75 L3MBTL1 (0.43) L3MBTL1NAMPTIGF1RMAPTTDP1
SCHEMBL2586161 0.75 L3MBTL1 (0.43) L3MBTL1NAMPTIGF1RMAPTTDP1
SCHEMBL2581904 0.75 L3MBTL1 (0.43) L3MBTL1NAMPTIGF1RMAPTTDP1

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 7 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
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

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 PTGES2 2071/4885L3MBTL1 2883/4885NAMPT 4696/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A PTGES2 2071/4885L3MBTL1 2883/4885NAMPT 4696/4885

“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.