SCHEMBL99591

SCHEMBL99591

COc1ccc(COc2ccc([C@@H](O)CBr)c3ccc(=O)[nH]c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.52
ADRB1 P08588 13/20 0.51
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 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
SCHEMBL25666134 0.87 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666155 0.87 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2568651 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL99134 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL30490482 0.87 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL13697685 0.81 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18601883 0.81 ADRB2 (0.42) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL11912037 0.80 ADRB2 (0.71) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL10494340 0.80 ADRB2 (0.71) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL10494435 0.80 ADRB2 (0.71) ADRB2ADRB1DRD2DRD1DRD4

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
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 ADRB2 1/4885ADRB1 4/4885DRD2 344/4885

“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.