SCHEMBL2584423

SCHEMBL2584423

CC(C)OCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
HTR2A P28223 1/20 0.35
MAPK1 P28482 5/20 0.34
TRPV1 Q8NER1 2/20 0.32
PDE5A O76074 4/20 0.31
ACKR3 P25106 1/20 0.31
HTR1A P08908 1/20 0.31
ENPP2 Q13822 1/20 0.31
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 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
SCHEMBL2369925 0.85 ESR1 (0.35) ESR1ESR2HTR2AMAPK1PDE5A
SCHEMBL2581911 0.84 ESR1 (0.35) ESR1ESR2MAPK1PDE5AACKR3
SCHEMBL2588786 0.81 ESR1 (0.35) ESR1ESR2MAPK1TRPV1PDE5A
SCHEMBL2586652 0.80 ESR1 (0.34) ESR1ESR2MAPK1TRPV1PDE5A
SCHEMBL506258 0.80 ESR2 (0.51) ESR1ESR2ACKR3ENPP2
SCHEMBL506555 0.80 ESR1 (0.39) ESR1ESR2HTR2AACKR3HTR1A
SCHEMBL506344 0.79 ESR1 (0.44) ESR1ESR2MAPK1ACKR3
SCHEMBL506930 0.79 ESR1 (0.49) ESR1ESR2PDE5A
SCHEMBL507562 0.79 ESR1 (0.40) ESR1ESR2
SCHEMBL2587083 0.79 HTR2B (0.36) HTR2APDE5A

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 261/4885HTR2A 3/4885
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 261/4885HTR2A 3/4885

“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.