SCHEMBL8220449

SCHEMBL8220449

COc1cc(F)ccc1-c1cc(F)cc2c1O[C@@H](CN)CO2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.43
SLC6A2 P23975 14/20 0.43
SLC6A3 Q01959 13/20 0.43
AQP1 P29972 1/20 0.40
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
HTR1A P08908 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8220451 0.92 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3AQP1
SCHEMBL14364276 0.91 HTR7 (0.42) SLC6A4SLC6A2SLC6A3AQP1ADRA1D
SCHEMBL8220862 0.88 AQP1 (0.38) SLC6A4SLC6A2SLC6A3AQP1ADRA1D
SCHEMBL4962508 0.88 ADRA1D (0.45) SLC6A4SLC6A2SLC6A3ADRA1DADRA1A
SCHEMBL8221249 0.86 ADRA1D (0.41) SLC6A4SLC6A2SLC6A3ADRA1DADRA1A
SCHEMBL8225821 0.84 AQP1 (0.40) SLC6A4SLC6A2SLC6A3AQP1
SCHEMBL8220442 0.81 AQP1 (0.50) SLC6A4SLC6A2SLC6A3AQP1
SCHEMBL8225835 0.81 AQP1 (0.43) AQP1HTR1ACA2
SCHEMBL8221211 0.81 ADRA1D (0.45) SLC6A4SLC6A2SLC6A3ADRA1DADRA1A
SCHEMBL8221231 0.81 AQP1 (0.41) AQP1HTR1ACA2

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
WO-2007123942-A2 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO disclosed
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 SLC6A4 213/4885SLC6A2 262/4885SLC6A3 137/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R SLC6A4 290/4885SLC6A2 353/4885SLC6A3 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.