SCHEMBL4964306

SCHEMBL4964306

COc1ccccc1-c1cccc2c1OC(CCN)CO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.46
ADRA1A P35348 13/20 0.46
ADRA1B P35368 13/20 0.46
HTR1A P08908 6/20 0.44
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL4961223 0.91 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4963419 0.90 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL8230077 0.90 ADRA1D (0.47) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL8131145 0.89 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1ASLC6A4
Hydrochloric Acid SCHEMBL8126727 0.87 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL6104378 0.87 HTT (0.41) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4964294 0.83 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL4961844 0.82 CA2 (0.41) ADRA1DADRA1AADRA1BHTR1ATSHR
SCHEMBL4961050 0.81 CA2 (0.38) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4962093 0.81 CA2 (0.48) ADRA1DADRA1AADRA1BHTR1AADRA2A

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 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.