SCHEMBL4961005

SCHEMBL4961005

CNCC1COc2cccc(-c3ccc(F)cc3F)c2O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.44
ADRA1A P35348 10/20 0.44
ADRA1B P35368 10/20 0.44
AQP1 P29972 2/20 0.42
HTR6 P50406 1/20 0.40
CA2 P00918 3/20 0.40
AIMP2 Q13155 1/20 0.38
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4959886 0.91 ADRA1D (0.44) ADRA1DADRA1AADRA1BAQP1HTR6
SCHEMBL4961831 0.88 ADRA1D (0.47) ADRA1DADRA1AADRA1BAQP1HTR6
SCHEMBL4965335 0.84 ADRA1D (0.47) ADRA1DADRA1AADRA1BAQP1HTR6
SCHEMBL6106005 0.84 PRKAB2 (0.40) ADRA1DADRA1AADRA1BAQP1CA2
SCHEMBL8223751 0.84 PRKAB2 (0.40) ADRA1DADRA1AADRA1BAQP1CA2
SCHEMBL4961021 0.83 GRM2 (0.37) ADRA1DADRA1AADRA1BCA2
SCHEMBL4595087 0.81 AQP1 (0.57) AQP1
SCHEMBL6104735 0.80 HTR6 (0.44) ADRA1DADRA1AADRA1BHTR6CA2
SCHEMBL4961040 0.79 CA2 (0.43) ADRA1DADRA1AADRA1BHTR6CA2
SCHEMBL6103977 0.79 AQP1 (0.54) ADRA1DADRA1AADRA1BAQP1HTR6

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.