SCHEMBL8220833

SCHEMBL8220833

NC[C@H]1COc2cccc(-c3c(Cl)cc(F)cc3Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.44
AQP1 P29972 2/20 0.43
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
SLC6A4 P31645 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP19A1 P11511 2/20 0.35
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
GRM2 Q14416 1/20 0.32
HTR1A P08908 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8228420 0.91 CA2 (0.46) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4961501 0.90 CA2 (0.50) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8220872 0.90 CA2 (0.50) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8225826 0.90 CA2 (0.50) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8220394 0.88 CA2 (0.44) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8225939 0.88 CA2 (0.41) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8225972 0.87 CA2 (0.41) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL5361392 0.86 AQP1 (0.51) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL5361397 0.86 AQP1 (0.51) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8225828 0.86 AQP1 (0.51) CA2AQP1PRKAB2PRKAG1PRKAA2

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 CA2 4153/4885AQP1 1697/4885PRKAB2 4344/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA2 2702/4885AQP1 2199/4885PRKAB2 4525/4885

“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.