SCHEMBL6104378

SCHEMBL6104378

COc1ccc(Cl)cc1-c1cccc2c1OC(CCN)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ADRA1D P25100 10/20 0.41
ADRA1A P35348 10/20 0.41
ADRA1B P35368 10/20 0.41
SLC6A4 P31645 2/20 0.38
HTR1A P08908 4/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
CA2 P00918 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 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
SCHEMBL4968730 0.91 HTT (0.43) HTTADRA1DADRA1AADRA1BSLC6A4
SCHEMBL14364263 0.91 HTT (0.43) HTTADRA1DADRA1AADRA1BSLC6A4
SCHEMBL4964306 0.87 ADRA1D (0.46) ADRA1DADRA1AADRA1BSLC6A4HTR1A
SCHEMBL4960749 0.85 CA2 (0.42) ADRA1DADRA1AADRA1BSLC6A4CA2
SCHEMBL4984814 0.85 ADRA1D (0.48) HTTADRA1DADRA1AADRA1BHTR1A
SCHEMBL6103982 0.83 AQP1 (0.44) HTTADRA1DADRA1AADRA1BHTR2C
SCHEMBL4961223 0.82 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8131145 0.80 ADRA1D (0.56) ADRA1DADRA1AADRA1BSLC6A4HTR1A
SCHEMBL6107379 0.80 HTT (0.40) HTTADRA1DADRA1AADRA1BHTR1A
Hydrochloric Acid SCHEMBL8126727 0.79 ADRA1D (0.58) ADRA1DADRA1AADRA1BSLC6A4HTR1A

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 1 patent. 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

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 HTT 2102/4885ADRA1D 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.