SCHEMBL4963282

SCHEMBL4963282

COc1ccc(-c2cccc3c2O[C@@H](CN)CO3)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP19A1 P11511 5/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
MTNR1A P48039 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL14364274 0.91 MAPT (0.45) POLBCYP19A1MAPTGAAPRKAB2
SCHEMBL4961946 0.90 ADRA1D (0.40) POLBCYP19A1MAPTGAAPRKAB2
SCHEMBL4959966 0.88 TSHR (0.41) GAAPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8225725 0.87 POLB (0.38) POLBCYP19A1MAPTGAAPRKAB2
SCHEMBL6106691 0.85 CA2 (0.38) CYP19A1GAAPRKAB2PRKAG1PRKAA2
SCHEMBL8225821 0.84 AQP1 (0.40) POLBCYP19A1MAPTGAAMTNR1A
SCHEMBL8220733 0.82 ADRA1D (0.41) POLBCYP19A1MAPTGAAPRKAB2
SCHEMBL8231974 0.82 SLC6A2 (0.41) POLBADRA1DADRA1AADRA1BMTNR1A
SCHEMBL4961840 0.82 SLC6A2 (0.41) POLBADRA1DADRA1AADRA1BMTNR1A
SCHEMBL4963419 0.81 ADRA1D (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP 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
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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
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 POLB 3658/4885CYP19A1 326/4885MAPT 3207/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R POLB 3531/4885CYP19A1 239/4885MAPT 3296/4885

“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.