SCHEMBL7599057

SCHEMBL7599057

FC(F)Oc1[c]cccc1OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH1 P35367 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD1 P21728 1/20 0.30
MCHR1 Q99705 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
SCHEMBL28716072 0.89 PDE4A (0.33) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL899973 0.82 DRD1 (0.35) KMT2ADRD1
SCHEMBL28813439 0.80 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL16467697 0.79 MCHR1 (0.34) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL1067817 0.77 CA1 (0.38) ADRA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL15352714 0.77 HTR1A (0.35) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL15353343 0.75 SLC6A2 (0.42) HTR1AADRA2AADRA2BADRA2CSLC6A2
SCHEMBL1063855 0.75 KCNK3 (0.30)
SCHEMBL2469198 0.73 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMCHR1
SCHEMBL27880771 0.72 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-31 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 (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-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A HTR1A 1173/4885ADRA2A 397/4885ADRA2B 287/4885

“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.