SCHEMBL2579997

SCHEMBL2579997

CN(c1ccnc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)n1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
ATR Q13535 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACACB O00763 5/20 0.40
ACACA Q13085 4/20 0.40
HDAC1 Q13547 1/20 0.40
GRM2 Q14416 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
HPN P05981 1/20 0.39
LCK P06239 3/20 0.39
JAK3 P52333 3/20 0.39
AKT1 P31749 1/20 0.39
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 0.83 ATR (0.45) NAMPTATRGPR119L3MBTL1ACACB
SCHEMBL2585523 0.80 TBK1 (0.46) NAMPTATRGPR119L3MBTL1ACACB
SCHEMBL2579999 0.79 ACACB (0.48) NAMPTATRL3MBTL1ACACBACACA
SCHEMBL3180689 0.71 L3MBTL1 (0.61) NAMPTL3MBTL1HDAC1
SCHEMBL506891 0.70 CYP17A1 (0.61) NAMPTL3MBTL1HDAC1CYP3A4MAPK1
SCHEMBL16038520 0.70 GAA (0.52) NAMPTATRL3MBTL1HDAC1GRM2
SCHEMBL2581731 0.70 VCP (0.54) ATRL3MBTL1ACACBACACA
SCHEMBL12921676 0.70 AAK1 (0.53) NAMPTATRL3MBTL1HDAC1GRM2
SCHEMBL31699229 0.70 L3MBTL1 (0.51) NAMPTL3MBTL1HDAC1GRM2HPN
SCHEMBL16616006 0.70 NAMPT (0.53) NAMPTATRL3MBTL1HDAC1GRM2

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 NAMPT 4696/4885ATR 4540/4885GPR119 26/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A NAMPT 4696/4885ATR 4540/4885GPR119 26/4885

“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.