SCHEMBL8220845

SCHEMBL8220845

NC[C@H]1COc2cccc(-c3ccc(C(F)(F)F)cc3Cl)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
AQP1 P29972 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 2/20 0.37
GAA P10253 1/20 0.35
SCN9A Q15858 2/20 0.34
THRB P10828 1/20 0.33
CETP P11597 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 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
SCHEMBL8225972 0.89 CA2 (0.41) CA2AQP1MEN1LMNAPOLB
SCHEMBL8225716 0.88 LMNA (0.38) CA2MEN1LMNAPOLBMAPT
SCHEMBL8221228 0.86 AQP1 (0.51) CA2AQP1MEN1LMNAPOLB
SCHEMBL8220794 0.85 LMNA (0.38) CA2MEN1LMNAPOLBMAPT
SCHEMBL14364264 0.85 AQP1 (0.51) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL4963835 0.85 AQP1 (0.51) CA2AQP1PRKAB2PRKAG1PRKAA2
SCHEMBL8225779 0.82 AQP1 (0.39) CA2AQP1MEN1LMNAPOLB
SCHEMBL4963694 0.82 CA2 (0.50) CA2AQP1HTTHTR1AADRA1D
SCHEMBL8225803 0.82 CA2 (0.50) CA2AQP1HTTHTR1AADRA1D
SCHEMBL4961674 0.82 CA2 (0.50) CA2AQP1HTTHTR1AADRA1D

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
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
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 4153/4885AQP1 1697/4885MEN1 4067/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R CA2 2702/4885AQP1 2199/4885MEN1 2652/4885

“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.