SCHEMBL8225713

SCHEMBL8225713

NC[C@H]1COc2cc(F)cc(-c3ccccc3-c3ccccc3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.40
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
HTR2C P28335 1/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP19A1 P11511 3/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 2/20 0.32
ADRA1A P35348 3/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1B P35368 2/20 0.31
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 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
SCHEMBL14364282 0.94 AQP1 (0.39) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14364285 0.88 AQP1 (0.41) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8225982 0.85 AQP1 (0.50) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8225783 0.83 AQP1 (0.38) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8223322 0.83 ADRA2A (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14364276 0.82 HTR7 (0.42) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8225812 0.81 AQP1 (0.46) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8225786 0.81 AQP1 (0.36) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8226226 0.80 ADRA2A (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14202330 0.79 AQP1 (0.42) AQP1PRKAB2PRKAG1PRKAA2PRKAA1

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 AQP1 1697/4885PRKAB2 4344/4885PRKAG1 4363/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R AQP1 2199/4885PRKAB2 4525/4885PRKAG1 4583/4885

“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.