SCHEMBL6073893

SCHEMBL6073893

CCOC(=O)CC[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)OCC

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.77
ADRB2 P07550 15/20 0.77
ADRB1 P08588 13/20 0.77

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
SCHEMBL7165633 0.90 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6074042 0.90 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6074029 0.90 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6075463 0.90 ADRB3 (0.84) ADRB3ADRB2ADRB1
SCHEMBL6074115 0.89 ADRB3 (0.87) ADRB3ADRB2ADRB1
SCHEMBL6074102 0.89 ADRB3 (0.87) ADRB3ADRB2ADRB1
SCHEMBL6074276 0.87 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL6074267 0.87 ADRB3 (0.83) ADRB3ADRB2ADRB1
SCHEMBL6074746 0.86 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL6074739 0.86 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 3 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 disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US 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

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-20030144326-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.