SCHEMBL2582416

SCHEMBL2582416

CO/N=C(\C)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PRLHR P49683 4/20 0.35
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PDE5A O76074 4/20 0.33
ACKR3 P25106 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.32
VNN1 O95497 1/20 0.32

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
SCHEMBL2582417 1.00 ESR1 (0.36) ESR1ESR2HRH3PRLHRHPGD
SCHEMBL507578 0.90 ESR1 (0.38) ESR1ESR2PRLHRHPGDHTT
SCHEMBL507577 0.90 ESR1 (0.38) ESR1ESR2PRLHRHPGDHTT
SCHEMBL507562 0.89 ESR1 (0.40) ESR1ESR2PRLHRHPGDHTT
SCHEMBL507044 0.88 ESR1 (0.41) ESR1ESR2PRLHRHPGDHTT
SCHEMBL506930 0.85 ESR1 (0.49) ESR1ESR2HPGDPDE5AHDAC6
SCHEMBL506344 0.84 ESR1 (0.44) ESR1ESR2PRLHRHPGDHTT
SCHEMBL506258 0.83 ESR2 (0.51) ESR1ESR2HPGDHTTACKR3
SCHEMBL507526 0.83 ESR1 (0.38) ESR1ESR2PRLHRHPGDHTT
SCHEMBL508702 0.83 ESR1 (0.38) ESR1ESR2PRLHRHPGDHTT

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 261/4885HRH3 394/4885
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 261/4885HRH3 394/4885

“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.