SCHEMBL2585523

SCHEMBL2585523

CN(c1cc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)ncn1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.46
ATR Q13535 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 5/20 0.42
ACACA Q13085 3/20 0.42
PDPK1 O15530 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
HDAC1 Q13547 2/20 0.40
GRM2 Q14416 1/20 0.40
NAMPT P43490 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
S1PR1 P21453 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL2581729 0.81 ATR (0.45) ATRL3MBTL1ACACBACACAGPR119
SCHEMBL2579997 0.80 NAMPT (0.42) ATRL3MBTL1ACACBACACAGPR119
SCHEMBL2585526 0.79 ACACB (0.51) TBK1ATRL3MBTL1ACACBACACA
SCHEMBL27858324 0.74 JAK3 (0.41) TBK1ALDH1A1CYP1A2CYP2D6HSD17B10
SCHEMBL28017381 0.72 AURKB (0.40)
SCHEMBL27255849 0.71 ACACB (0.43) ATRL3MBTL1ACACBACACAHDAC1
SCHEMBL30608878 0.71 AKT1 (0.52) ATRL3MBTL1ACACBACACAHDAC1
SCHEMBL26847061 0.71 AKT1 (0.52) ATRL3MBTL1ACACBACACAHDAC1
SCHEMBL3180689 0.71 L3MBTL1 (0.61) L3MBTL1HDAC1NAMPT
SCHEMBL30967159 0.70 FFAR4 (0.47) ATRL3MBTL1ACACBACACAHDAC1

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 6 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
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 TBK1 4278/4885ATR 4540/4885L3MBTL1 2883/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A TBK1 4278/4885ATR 4540/4885L3MBTL1 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.