SCHEMBL8225972

SCHEMBL8225972

NC[C@H]1COc2cccc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 2/20 0.36
GAA P10253 1/20 0.36
AQP1 P29972 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ADRA1D P25100 2/20 0.33

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
SCHEMBL8220845 0.89 CA2 (0.40) CA2MEN1LMNAMAPTHTT
SCHEMBL8228420 0.88 CA2 (0.46) CA2HTR1AAQP1PRKAB2PRKAG1
SCHEMBL8220833 0.87 CA2 (0.44) CA2LMNAHTR1AAQP1PRKAB2
SCHEMBL8225826 0.86 CA2 (0.50) CA2LMNAHTTHTR1AAQP1
SCHEMBL4961501 0.86 CA2 (0.50) CA2LMNAHTTHTR1AAQP1
SCHEMBL8220872 0.86 CA2 (0.50) CA2LMNAHTTHTR1AAQP1
SCHEMBL8220826 0.85 CA2 (0.39) CA2HTR1AAQP1PRKAB2PRKAG1
SCHEMBL8220394 0.84 CA2 (0.44) CA2HTTAQP1PRKAB2PRKAG1
SCHEMBL8225705 0.84 AQP1 (0.41) CA2GAAAQP1
SCHEMBL8225728 0.83 CA2 (0.37) CA2MEN1LMNAMAPTHTT

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 CA2 4153/4885MEN1 4067/4885LMNA 2921/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA2 2702/4885MEN1 2652/4885LMNA 1931/4885

“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.