SCHEMBL8220872

SCHEMBL8220872

NCC1COc2cccc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ADRA1A P35348 6/20 0.39
ADRA1D P25100 5/20 0.39
ADRA1B P35368 5/20 0.39
AQP1 P29972 2/20 0.37
FFAR1 O14842 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 2/20 0.34
HTR1A P08908 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 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
SCHEMBL8225826 1.00 CA2 (0.50) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL4961501 1.00 CA2 (0.50) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL8228420 0.93 CA2 (0.46) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL8225729 0.91 CA2 (0.46) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL8220833 0.90 CA2 (0.44) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL8220394 0.90 CA2 (0.44) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL4961674 0.89 CA2 (0.50) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL8225803 0.89 CA2 (0.50) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL4963694 0.89 CA2 (0.50) CA2ADRA1AADRA1DADRA1BAQP1
SCHEMBL4963942 0.88 CA2 (0.49) CA2ADRA1AADRA1DADRA1BAQP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4153/4885ADRA1A 37/4885ADRA1D 21/4885

“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.