SCHEMBL4961844

SCHEMBL4961844

NCCC1COc2cccc(-c3ccccc3F)c2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADRA1A P35348 4/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1B P35368 3/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 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
SCHEMBL4965344 0.91 CA2 (0.41) CA2L3MBTL1ADRA1AADRA1DADRA1B
SCHEMBL8231964 0.90 CA2 (0.42) CA2L3MBTL1ADRA1AADRA1DADRA1B
SCHEMBL4961327 0.90 CA2 (0.42) CA2L3MBTL1ADRA1AADRA1DADRA1B
SCHEMBL4961021 0.87 GRM2 (0.37) CA2ADRA1AADRA1DADRA1BCYP19A1
SCHEMBL4959895 0.87 KIF11 (0.39) CA2ADRA1AADRA1DADRA1BCYP19A1
SCHEMBL4962093 0.85 CA2 (0.48) CA2ADRA1AADRA1DADRA1BHTT
SCHEMBL4961050 0.83 CA2 (0.38) CA2ADRA1AADRA1DADRA1BHTT
SCHEMBL4964306 0.82 ADRA1D (0.46) ADRA1AADRA1DADRA1BMAPK1TSHR
SCHEMBL4958758 0.82 CA2 (0.47) CA2ADRA1AADRA1DADRA1BHTT
SCHEMBL4961831 0.82 ADRA1D (0.47) CA2L3MBTL1ADRA1AADRA1DADRA1B

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 3 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

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 4153/4885L3MBTL1 3726/4885ADRA1A 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.