SCHEMBL2586652

SCHEMBL2586652

CC(C)(C)CS(=O)(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
MAPK1 P28482 3/20 0.32
PPARD Q03181 5/20 0.32
TRPV1 Q8NER1 2/20 0.32
ACKR3 P25106 1/20 0.31
AXL P30530 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
ENPP2 Q13822 1/20 0.31
NAMPT P43490 1/20 0.30
PDE5A O76074 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
SCHEMBL508345 0.87 ESR1 (0.37) ESR1ESR2ACKR3
SCHEMBL2586217 0.84 CYP3A4 (0.37) ESR1ESR2ACKR3PDE5A
SCHEMBL2369925 0.83 ESR1 (0.35) ESR1ESR2MAPK1ACKR3AXL
SCHEMBL2581911 0.81 ESR1 (0.35) ESR1ESR2MAPK1ACKR3ENPP2
SCHEMBL2588786 0.81 ESR1 (0.35) ESR1ESR2MAPK1TRPV1ACKR3
SCHEMBL2580322 0.81 HTR2B (0.35)
SCHEMBL507353 0.81 ESR1 (0.39) ESR1ESR2ACKR3
SCHEMBL2584423 0.80 ESR1 (0.36) ESR1ESR2MAPK1TRPV1ACKR3
SCHEMBL2575837 0.80 SCN9A (0.34) ESR1ESR2MAPK1ENPP2PDE5A
SCHEMBL508785 0.80 ESR1 (0.39) ESR1ESR2ACKR3ENPP2PDE5A

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 261/4885MAPK1 2429/4885
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 261/4885MAPK1 2429/4885

“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.