SCHEMBL4958748

SCHEMBL4958748

CNCC1COc2cccc(-c3cccc(Cl)c3Cl)c2O1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
ADRA1D P25100 9/20 0.46
ADRA1A P35348 9/20 0.46
ADRA1B P35368 9/20 0.46
AQP1 P29972 1/20 0.44
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL4962088 0.91 CA2 (0.53) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL8221067 0.86 POLB (0.57) CA2ADRA1DADRA1AADRA1BCYP2D6
SCHEMBL4960741 0.84 CA2 (0.46) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL6103977 0.84 AQP1 (0.54) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL14364273 0.83 CA2 (0.49) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL6104735 0.83 HTR6 (0.44) CA2ADRA1DADRA1AADRA1BCYP2D6
SCHEMBL4963942 0.83 CA2 (0.49) CA2ADRA1DADRA1AADRA1BAQP1
SCHEMBL4961040 0.82 CA2 (0.43) CA2ADRA1DADRA1AADRA1BCYP2D6
SCHEMBL4958758 0.81 CA2 (0.47) CA2ADRA1DADRA1AADRA1BHTT
SCHEMBL4961831 0.81 ADRA1D (0.47) CA2ADRA1DADRA1AADRA1BAQP1

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 CA2 4153/4885ADRA1D 21/4885ADRA1A 37/4885

“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.