SCHEMBL6074441

SCHEMBL6074441

COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCC(NC[C@@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.65
ADRB2 P07550 15/20 0.65
ADRB1 P08588 13/20 0.65
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56

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
SCHEMBL6074430 1.00 ADRB3 (0.65) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074722 0.93 ADRB3 (0.71) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074726 0.93 ADRB3 (0.71) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074464 0.84 ADRB3 (0.64) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074473 0.84 ADRB3 (0.64) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074438 0.82 ADRB3 (0.70) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6074779 0.81 ADRB3 (0.72) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6075155 0.81 ADRB3 (0.72) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6073975 0.81 ADRB3 (0.67) ADRB3ADRB2ADRB1ADRA2AADRA2B
SCHEMBL6075428 0.81 ADRB3 (0.86) ADRB3ADRB2ADRB1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US claimed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US claimed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP claimed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US claimed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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 (2 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB2 3/4885ADRB1 1/4885

“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.