SCHEMBL2584842

SCHEMBL2584842

O=C(N1CCc2ccc(Cl)c(NCc3ccc(CN4CCOCC4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.43
HIF1A Q16665 4/20 0.40
EPAS1 Q99814 4/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
AOC3 Q16853 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
AKR1C3 P42330 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 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
SCHEMBL2580279 0.90 ESR1 (0.40) ALDH1A1HRH3ESR1ESR2POLB
SCHEMBL506344 0.87 ESR1 (0.44) ALDH1A1ESR1ESR2HPGD
SCHEMBL506258 0.86 ESR2 (0.51) ESR1ESR2HPGDNPC1
SCHEMBL12160192 0.85 ESR1 (0.42) ALDH1A1ESR1ESR2HPGDNPC1
Hydrochloric Acid SCHEMBL2578390 0.84 ESR1 (0.41) ESR1ESR2HPGDNPC1
SCHEMBL507153 0.83 ESR1 (0.41) ALDH1A1ESR1ESR2HPGD
SCHEMBL507044 0.83 ESR1 (0.41) ESR1ESR2HDAC6HPGDRAB9A
SCHEMBL506435 0.83 ESR1 (0.46) ESR1ESR2
SCHEMBL507339 0.83 PDE5A (0.41) ALDH1A1ESR1ESR2TSHR
SCHEMBL507562 0.83 ESR1 (0.40) ESR1ESR2HPGDNPC1RAB9A

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 KCNJ1 1893/4885HIF1A 2253/4885EPAS1 2276/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A KCNJ1 1893/4885HIF1A 2253/4885EPAS1 2276/4885

“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.