SCHEMBL2581729

SCHEMBL2581729

CN(c1nccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)n1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ACACB O00763 6/20 0.42
ACACA Q13085 5/20 0.42
NAMPT P43490 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 2/20 0.39
AKT1 P31749 1/20 0.39
IGF1R P08069 1/20 0.39
GRM2 Q14416 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2579997 0.83 NAMPT (0.42) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL2585523 0.81 TBK1 (0.46) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL3957879 0.81 HDAC8 (0.43) GPR119HDAC8HDAC6
SCHEMBL12921676 0.79 AAK1 (0.53) ATRL3MBTL1NAMPTHDAC1AKT1
SCHEMBL2581731 0.79 VCP (0.54) ATRL3MBTL1ACACBACACA
SCHEMBL27255849 0.74 ACACB (0.43) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL26847061 0.74 AKT1 (0.52) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL30608878 0.74 AKT1 (0.52) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL30967159 0.73 FFAR4 (0.47) ATRL3MBTL1ACACBACACANAMPT
SCHEMBL27256283 0.73 FFAR4 (0.47) ATRL3MBTL1ACACBACACANAMPT

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 ATR 4540/4885L3MBTL1 2883/4885ACACB 2707/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ATR 4540/4885L3MBTL1 2883/4885ACACB 2707/4885

“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.