SCHEMBL2585637

SCHEMBL2585637

CC(NC(=O)Cc1ccc(CNC(=O)OC(C)(C)C)cc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 1/20 0.47
SDC2 P34741 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.46
NAMPT P43490 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PTPRZ1 P23471 1/20 0.43
NPC1 O15118 1/20 0.42
GLS O94925 3/20 0.42
HDAC1 Q13547 1/20 0.41
NTSR1 P30989 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2585635 1.00 SDCBP (0.47) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL2588001 0.88 SDCBP (0.50) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL18295371 0.81 L3MBTL1 (0.54) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL7454029 0.81 L3MBTL1 (0.51) SDCBPSDC2L3MBTL1NAMPTCA1
SCHEMBL10233000 0.81 NPC1 (0.49) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL3180689 0.80 L3MBTL1 (0.61) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL1244728 0.78 EPHX2 (0.56) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL27426150 0.78 L3MBTL1 (0.53) SDCBPSDC2L3MBTL1MAPTNPSR1
SCHEMBL15805678 0.78 CA1 (0.41) CA1CA2GAATDP1KMT2A
SCHEMBL30435085 0.77 L3MBTL1 (0.48) SDCBPSDC2L3MBTL1MAPTNPSR1

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 4 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
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

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 SDCBP 4796/4885SDC2 3829/4885L3MBTL1 2883/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A SDCBP 4796/4885SDC2 3829/4885L3MBTL1 2883/4885

“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.