SCHEMBL8220451

SCHEMBL8220451

COc1ccc(F)cc1-c1cc(F)cc2c1O[C@@H](CN)CO2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.46
SLC6A4 P31645 18/20 0.46
SLC6A3 Q01959 16/20 0.46
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
AQP1 P29972 1/20 0.38

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
SCHEMBL8220449 0.92 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3AQP1
SCHEMBL14364276 0.92 HTR7 (0.42) SLC6A2SLC6A4SLC6A3AQP1
SCHEMBL8221211 0.89 ADRA1D (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL8221249 0.87 ADRA1D (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL8225821 0.83 AQP1 (0.40) SLC6A2SLC6A4SLC6A3AQP1
SCHEMBL8220862 0.82 AQP1 (0.38) SLC6A2SLC6A4SLC6A3AQP1
SCHEMBL6107379 0.81 HTT (0.40) HTR2AHTR2CHTR2BAQP1
SCHEMBL14364285 0.81 AQP1 (0.41) SLC6A2SLC6A4HTR2AHTR2CHTR2B
SCHEMBL8220442 0.80 AQP1 (0.50) SLC6A2SLC6A4SLC6A3AQP1
SCHEMBL8225835 0.80 AQP1 (0.43) AQP1

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-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A SLC6A2 262/4885SLC6A4 213/4885SLC6A3 137/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R SLC6A2 353/4885SLC6A4 290/4885SLC6A3 314/4885

“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.