SCHEMBL4964281

SCHEMBL4964281

COc1cccc(OC)c1-c1cccc2c1O[C@@H](CN)CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 12/20 0.47
ADRA1A P35348 12/20 0.47
ADRA1B P35368 12/20 0.47
HTR7 P34969 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HTR1A P08908 5/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8225785 0.92 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR7PRKAB2
SCHEMBL4963419 0.90 ADRA1D (0.47) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8230077 0.90 ADRA1D (0.47) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8593309 0.88 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL3885649 0.88 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL4964506 0.88 ADRA1D (0.51) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL14364262 0.88 ADRA1D (0.51) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL4960253 0.86 CA2 (0.41) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8231332 0.86 CA2 (0.41) ADRA1DADRA1AADRA1BPRKAB2PRKAG1
SCHEMBL8221249 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BPRKAB2PRKAG1

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.