SCHEMBL8225835

SCHEMBL8225835

Cc1ccc(-c2cc(F)cc3c2O[C@@H](CN)CO3)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.43
CA2 P00918 2/20 0.37
MAOB P27338 4/20 0.33
CYP19A1 P11511 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
FFAR1 O14842 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
HTR1A P08908 2/20 0.31
PGR P06401 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
SCHEMBL8225790 0.89 AQP1 (0.39) AQP1CA2MAOBPDE3BPDE3A
SCHEMBL14364285 0.86 AQP1 (0.41) AQP1CA2CYP19A1PRKAB2PRKAG1
SCHEMBL8225821 0.86 AQP1 (0.40) AQP1MAOBCYP19A1FFAR1
SCHEMBL8225830 0.84 AQP1 (0.39) AQP1CA2MAOBFFAR1
SCHEMBL6106691 0.82 CA2 (0.38) CA2CYP19A1FFAR1PRKAB2PRKAG1
SCHEMBL8220740 0.81 AQP1 (0.42) AQP1CA2
SCHEMBL8220449 0.81 SLC6A4 (0.43) AQP1CA2HTR1A
SCHEMBL8228610 0.81 AQP1 (0.67) AQP1CA2MAOBFFAR1
SCHEMBL8221231 0.80 AQP1 (0.41) AQP1CA2CYP19A1PDE3BPDE3A
SCHEMBL8220451 0.80 SLC6A2 (0.46) 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 AQP1 1697/4885CA2 4153/4885MAOB 63/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R AQP1 2199/4885CA2 2702/4885MAOB 90/4885

“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.