SCHEMBL8220733

SCHEMBL8220733

COc1cc(Cl)c(-c2cccc3c2O[C@@H](CN)CO3)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.41
ADRA1A P35348 9/20 0.41
ADRA1B P35368 9/20 0.41
CA2 P00918 1/20 0.41
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
CYP19A1 P11511 2/20 0.39
SLC6A4 P31645 2/20 0.38
FFAR1 O14842 1/20 0.38
POLB P06746 1/20 0.36
HTR1A P08908 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4961946 0.89 ADRA1D (0.40) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8228420 0.88 CA2 (0.46) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8220394 0.87 CA2 (0.44) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8220872 0.86 CA2 (0.50) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL4961501 0.86 CA2 (0.50) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8225826 0.86 CA2 (0.50) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8220826 0.85 CA2 (0.39) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL8220833 0.84 CA2 (0.44) ADRA1DADRA1AADRA1BCA2PRKAB2
SCHEMBL4964281 0.83 ADRA1D (0.47) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8225735 0.83 AQP1 (0.40) ADRA1DADRA1AADRA1BCA2SLC6A4

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 ADRA1D 21/4885ADRA1A 37/4885ADRA1B 42/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R ADRA1D 22/4885ADRA1A 41/4885ADRA1B 44/4885

“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.