SCHEMBL4915951

SCHEMBL4915951

Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c(F)c1F

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.80
ADRB2 P07550 19/20 0.80
ADRB1 P08588 17/20 0.80

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
SCHEMBL4440198 0.92 ADRB2 (0.85) ADRB3ADRB2ADRB1
SCHEMBL4433173 0.89 ADRB2 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6664389 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6664548 0.88 ADRB2 (0.88) ADRB3ADRB2ADRB1
SCHEMBL4430200 0.88 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6664332 0.88 ADRB2 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6681778 0.87 ADRB3 (0.88) ADRB3ADRB2ADRB1
SCHEMBL4435801 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL4553648 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL4431300 0.87 ADRB3 (1.00) ADRB3ADRB2ADRB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US claimed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US claimed
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB2 3/4885ADRB1 2/4885

“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.