SCHEMBL2585024

SCHEMBL2585024

CC(C)(C)OC(=O)C(N)c1ccc(CN)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.32
P2RY2 P41231 1/20 0.31
APP P05067 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
KLKB1 P03952 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC7A5 Q01650 1/20 0.30
CYP3A4 P08684 2/20 0.30
POLB P06746 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL27874874 0.89 KMT2A (0.34) LMNAKMT2ALTA4HP2RY2APP
SCHEMBL27858350 0.88 LMNA (0.36) LMNAKMT2ALTA4HP2RY2APP
SCHEMBL27874891 0.80 HRH3 (0.46) KMT2ALTA4H
SCHEMBL27672314 0.80 LMNA (0.48) LMNAKMT2AP2RY2APPCYP3A4
SCHEMBL507419 0.80 MEN1 (0.34) KMT2A
SCHEMBL8117391 0.80 LNPEP (0.33) LMNAKMT2ALTA4HAPPNOS1
SCHEMBL27672308 0.79 LMNA (0.36) LMNAKMT2AAPP
SCHEMBL27652224 0.78 NPSR1 (0.36) LMNAKMT2AAPPCYP3A4POLB
SCHEMBL855255 0.78 LOXL2 (0.41) LMNAKMT2ALTA4HSLC7A5CYP3A4
SCHEMBL506765 0.78 P4HTM (0.41) LMNAKMT2ACYP3A4TDP1CYP1A2

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 8 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
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN 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
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN 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 LMNA 4572/4885KMT2A 1221/4885LTA4H 2179/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A LMNA 4572/4885KMT2A 1221/4885LTA4H 2179/4885

“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.