SCHEMBL2584415

SCHEMBL2584415

CC(C)(C)C(=O)NCCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
POLB P06746 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PTGES O14684 3/20 0.34
ACKR3 P25106 1/20 0.33
DRD4 P21917 3/20 0.32
DRD2 P14416 2/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRG P62508 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
F2R P25116 1/20 0.31

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 0.93 ESR1 (0.39) ESR1ESR2PTGESACKR3KMT2A
SCHEMBL2582079 0.87 NPY2R (0.39) ESR1ESR2MAPTPTGESF2R
SCHEMBL508785 0.87 ESR1 (0.39) ESR1ESR2HPGDACKR3KMT2A
SCHEMBL507153 0.85 ESR1 (0.41) ESR1ESR2HPGDACKR3KMT2A
SCHEMBL2369366 0.85 ESR1 (0.36) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL506344 0.85 ESR1 (0.44) ESR1ESR2HPGDACKR3KMT2A
SCHEMBL2581859 0.84 ESR1 (0.37) ESR1ESR2MAPTACKR3KMT2A
SCHEMBL506258 0.84 ESR2 (0.51) ESR1ESR2HPGDACKR3KMT2A
SCHEMBL507044 0.83 ESR1 (0.41) ESR1ESR2HPGDACKR3KMT2A
SCHEMBL12160192 0.83 ESR1 (0.42) ESR1ESR2HPGDACKR3KMT2A

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 ESR1 323/4885ESR2 261/4885POLB 4620/4885
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 261/4885POLB 4620/4885

“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.