SCHEMBL4963564

SCHEMBL4963564

NC[C@H]1COc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CA2 P00918 3/20 0.37
FFAR1 O14842 1/20 0.36
ADRA2A P08913 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
PRKAB2 O43741 1/20 0.34

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
SCHEMBL6104848 1.00 HTR2C (0.38) HTR2CHTR2BCA2FFAR1ADRA2A
SCHEMBL8225728 0.90 CA2 (0.37) HTR2CHTR2BCA2FFAR1ADRA2A
SCHEMBL8220435 0.87 PRKAB2 (0.35) CA2FFAR1HTR1AADRA1AMEN1
SCHEMBL8225716 0.87 LMNA (0.38) HTR2CHTR2BCA2FFAR1HTR1A
SCHEMBL8225740 0.87 AR (0.37) CA2HTR1AADRA1AMEN1LMNA
SCHEMBL8220794 0.87 LMNA (0.38) HTR2CHTR2BCA2FFAR1HTR1A
SCHEMBL8221194 0.86 CA2 (0.34) CA2HTR1AMEN1LMNAPOLB
SCHEMBL8225779 0.86 AQP1 (0.39) HTR2CHTR2BCA2HTR1AMEN1
SCHEMBL8225783 0.85 AQP1 (0.38) HTR2CHTR2BCA2FFAR1MEN1
SCHEMBL4959806 0.84 AQP1 (0.35) HTR2CHTR2BCA2FFAR1PRKAB2

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 8 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-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
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 (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 HTR2C 1/4885HTR2B 5/4885CA2 4153/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R HTR2C 2/4885HTR2B 14/4885CA2 2702/4885

“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.