SCHEMBL506701

SCHEMBL506701

CC(C)(C)C(=O)COc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
PDE6D O43924 2/20 0.36
PDE6A P16499 2/20 0.36
PDE6G P18545 2/20 0.36
PDE6B P35913 2/20 0.36
PDE6C P51160 2/20 0.36
PDE6H Q13956 2/20 0.36
RAB9A P51151 1/20 0.35
ENPP2 Q13822 1/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 1/20 0.33
PDE11A Q9HCR9 1/20 0.33

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
SCHEMBL508349 0.91 PDE5A (0.40) PDE5AESR1ESR2PDE6DPDE6A
SCHEMBL506300 0.89 PDE5A (0.47) PDE5AESR1ESR2PDE6DPDE6A
SCHEMBL2588786 0.86 ESR1 (0.35) PDE5AESR1ESR2ENPP2MAPK1
SCHEMBL506435 0.83 ESR1 (0.46) PDE5AESR1ESR2ENPP2
SCHEMBL10228019 0.82 PDE5A (0.38) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL2584808 0.81 ESR1 (0.39) ESR1ESR2ENPP2
SCHEMBL506715 0.81 ESR1 (0.39) PDE5AESR1ESR2PDE6DPDE6A
SCHEMBL507153 0.81 ESR1 (0.41) ESR1ESR2
SCHEMBL506344 0.81 ESR1 (0.44) ESR1ESR2LMNAMAPK1HTT
SCHEMBL506930 0.80 ESR1 (0.49) PDE5AESR1ESR2LMNA

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
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PDE5A 2108/4885ESR1 331/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PDE5A 1396/4885ESR1 311/4885ESR2 319/4885

“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.