SCHEMBL2582079

SCHEMBL2582079

CC(C)(C)C(=O)Nc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 7/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PTGES O14684 2/20 0.36
MAPT P10636 1/20 0.35
F2R P25116 2/20 0.35
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL2584808 0.91 ESR1 (0.39) ESR1ESR2PTGESF2RNPC1
SCHEMBL2578564 0.88 DRD2 (0.43) ESR1ESR2NPC1RAB9AATM
SCHEMBL2584415 0.87 ESR1 (0.37) ESR1ESR2PTGESMAPTF2R
SCHEMBL507153 0.87 ESR1 (0.41) ESR1ESR2EPHX2NR1H4
SCHEMBL506344 0.86 ESR1 (0.44) ESR1ESR2
SCHEMBL2586759 0.86 ESR1 (0.36) ESR1ESR2MAPTF2REPHX2
SCHEMBL2586757 0.86 ESR1 (0.36) ESR1ESR2MAPTF2REPHX2
SCHEMBL506258 0.85 ESR2 (0.51) ESR1ESR2NPC1
SCHEMBL508785 0.85 ESR1 (0.39) ESR1ESR2NPC1
SCHEMBL507044 0.85 ESR1 (0.41) ESR1ESR2RAB9A

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 NPY2R 36/4885ESR1 323/4885ESR2 261/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A NPY2R 36/4885ESR1 323/4885ESR2 261/4885

“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.