SCHEMBL8231964

SCHEMBL8231964

NC[C@H]1COc2cccc(-c3ccccc3F)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ADRA1A P35348 4/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 2/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
ADRA2A P08913 2/20 0.37
HTR1A P08908 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 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
SCHEMBL4961327 1.00 CA2 (0.42) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL4961844 0.90 CA2 (0.41) CA2L3MBTL1ADRA1AADRA1DADRA1B
SCHEMBL8231966 0.90 CA2 (0.41) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL4959845 0.90 CA2 (0.41) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL4960050 0.87 PRKAB2 (0.40) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL6106005 0.87 PRKAB2 (0.40) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL8223751 0.87 PRKAB2 (0.40) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL14364270 0.87 PRKAB2 (0.40) CA2L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL4961840 0.86 SLC6A2 (0.41) CA2ADRA1AADRA1DADRA1BADRA2A
SCHEMBL8231974 0.86 SLC6A2 (0.41) CA2ADRA1AADRA1DADRA1BADRA2A

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA2 2702/4885L3MBTL1 4011/4885PRKAB2 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.