SCHEMBL4965335

SCHEMBL4965335

CNCC1COc2cccc(-c3cccc(F)c3F)c2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.47
ADRA1A P35348 9/20 0.47
ADRA1B P35368 9/20 0.47
CA2 P00918 2/20 0.44
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.40
AQP1 P29972 1/20 0.39
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
MTNR1A P48039 1/20 0.38
HTR2A P28223 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL4961831 0.91 ADRA1D (0.47) ADRA1DADRA1AADRA1BCA2HPGD
SCHEMBL4959886 0.84 ADRA1D (0.44) ADRA1DADRA1AADRA1BCA2HTR6
SCHEMBL4961005 0.84 ADRA1D (0.44) ADRA1DADRA1AADRA1BCA2HTR6
SCHEMBL4959845 0.83 CA2 (0.41) ADRA1DADRA1AADRA1BCA2HPGD
SCHEMBL8231966 0.83 CA2 (0.41) ADRA1DADRA1AADRA1BCA2HPGD
SCHEMBL6104735 0.83 HTR6 (0.44) ADRA1DADRA1AADRA1BCA2HTR6
SCHEMBL4961040 0.82 CA2 (0.43) ADRA1DADRA1AADRA1BCA2HTR6
SCHEMBL4965344 0.82 CA2 (0.41) ADRA1DADRA1AADRA1BCA2HPGD
SCHEMBL4962088 0.81 CA2 (0.53) ADRA1DADRA1AADRA1BCA2TSHR
SCHEMBL6104618 0.81 HTR6 (0.41) ADRA1DADRA1AADRA1BCA2HPGD

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 ADRA1D 21/4885ADRA1A 37/4885ADRA1B 42/4885

“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.