SCHEMBL2581859

SCHEMBL2581859

CC(C)(C)NC(=O)CCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ACKR3 P25106 1/20 0.33
GPBAR1 Q8TDU6 4/20 0.33
KCNH2 Q12809 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ENPP2 Q13822 1/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 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
SCHEMBL507526 0.87 ESR1 (0.38) ESR1ESR2ACKR3MAPTALDH1A1
SCHEMBL508785 0.87 ESR1 (0.39) ESR1ESR2ACKR3GPBAR1ENPP2
SCHEMBL507153 0.85 ESR1 (0.41) ESR1ESR2ACKR3CA1CA2
SCHEMBL506344 0.85 ESR1 (0.44) ESR1ESR2ACKR3ALDH1A1KMT2A
SCHEMBL2584415 0.84 ESR1 (0.37) ESR1ESR2ACKR3MAPTDGAT2
SCHEMBL506258 0.84 ESR2 (0.51) ESR1ESR2ACKR3ENPP2KMT2A
SCHEMBL2584808 0.83 ESR1 (0.39) ESR1ESR2ACKR3CA1CA2
SCHEMBL2369366 0.83 ESR1 (0.36) ESR1ESR2ACKR3GPBAR1KCNH2
SCHEMBL507044 0.83 ESR1 (0.41) ESR1ESR2ACKR3RAB9AKMT2A
SCHEMBL12160192 0.83 ESR1 (0.42) ESR1ESR2ACKR3ENPP2ALDH1A1

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 ESR1 323/4885ESR2 261/4885ACKR3 474/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885ACKR3 474/4885

“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.