SCHEMBL4960253

SCHEMBL4960253

Cc1cccc(C)c1-c1cccc2c1OC(CN)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
SLC6A2 P23975 3/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 5/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1B P35368 4/20 0.37
ADRA2A P08913 2/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
DRD3 P35462 1/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
ADRA2B P18089 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
SCHEMBL8231332 1.00 CA2 (0.41) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL4961840 0.93 SLC6A2 (0.41) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL8231974 0.93 SLC6A2 (0.41) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL8225776 0.91 TP53 (0.41) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL14364266 0.90 CA2 (0.39) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL4961952 0.90 CA2 (0.39) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL11475106 0.89 CA2 (0.44) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL8220394 0.88 CA2 (0.44) CA2SLC6A2CYP2D6SLC6A4ADRA1A
SCHEMBL8220872 0.87 CA2 (0.50) CA2SLC6A2ADRA1AADRA1DADRA1B
SCHEMBL4961501 0.87 CA2 (0.50) CA2SLC6A2ADRA1AADRA1DADRA1B

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
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP 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 (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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CA2 4153/4885SLC6A2 262/4885CYP2D6 270/4885

“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.