SCHEMBL506548

SCHEMBL506548

CSCCCOc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.42
ESR1 P03372 5/20 0.42
S1PR5 Q9H228 1/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABHD6 Q9BV23 3/20 0.33
ACKR3 P25106 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.32
MCHR1 Q99705 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL507028 0.86 ESR1 (0.44) ESR2ESR1S1PR5HPGDMAPT
SCHEMBL506156 0.85 ESR1 (0.44) ESR2ESR1S1PR5HPGDMAPT
SCHEMBL506274 0.85 ESR1 (0.45) ESR2ESR1S1PR5HPGDMAPT
SCHEMBL506159 0.80 ESR2 (0.39) ESR2ESR1
SCHEMBL506207 0.79 ESR1 (0.39) ESR2ESR1S1PR5HTT
SCHEMBL507474 0.78 HPGD (0.43) ESR2ESR1HPGDALDH1A1POLB
SCHEMBL506886 0.77 MAPT (0.42) ESR2ESR1MAPTHTTNPSR1
SCHEMBL505630 0.76 DRD2 (0.42) SMN1; SMN2
SCHEMBL506456 0.76 KMT2A (0.44) ESR2ESR1HPGDALDH1A1RAB9A
SCHEMBL506132 0.75 ESR1 (0.46) ESR2ESR1ABHD6NOTUMHDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR2 210/4885ESR1 331/4885S1PR5 481/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885ESR1 311/4885S1PR5 585/4885

“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.