SCHEMBL3987591

SCHEMBL3987591

CCOC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 5/20 0.50
SLC6A4 P31645 3/20 0.50
PTGDR2 Q9Y5Y4 10/20 0.47
CHRM5 P08912 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
HTR1A P08908 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL3982599 0.84 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4CHRM5CHRM2
SCHEMBL4756289 0.83 SLC6A3 (0.53) SLC6A2SLC6A3SLC6A4
SCHEMBL3981548 0.82 PTGDR2 (0.50) PTGDR2TMEM97SIGMAR1
SCHEMBL17474538 0.78 CHRM5 (0.60) SLC6A2SLC6A3SLC6A4CHRM5CHRM2
SCHEMBL4049327 0.77 SLC6A3 (0.60) SLC6A2SLC6A3SLC6A4CHRM5CHRM2
SCHEMBL4399188 0.77 TMEM97 (0.49) SLC6A2SLC6A3CHRM5CHRM2CHRM4
SCHEMBL31315800 0.76 TMEM97 (0.51) SLC6A2SLC6A3CHRM5CHRM2CHRM4
SCHEMBL17485170 0.75 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4CHRM5CHRM2
SCHEMBL3197591 0.75 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4CHRM5CHRM2
SCHEMBL29995210 0.74 MEN1 (0.54) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061461-B1 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LTD (GB) 2009-12-23 EP disclosed
EP-2061461-B1 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LTD (GB) 2009-12-23 EP disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2061461-A2 3-AZABICYCLO[4.1.0]HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION Glaxo Group Limited (GB) 2009-05-27 EP disclosed
WO-2008031771-A2 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2008-03-20 WO disclosed
WO-2008031771-A2 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION GLAXO GROUP LIMITED (GB) 2008-03-20 WO 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 (1 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-20090281135-A1 3-AZABICYCLO [4. 1. 0] HEPTANE DERIVATIVES FOR THE TREATMENT OF DEPRESSION HTR5A, ADRA2C, SLC6A3 SLC6A2 8/4885SLC6A3 3/4885SLC6A4 21/4885

“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.