SCHEMBL6074978

SCHEMBL6074978

CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@H](O)c4cccc(Cl)c4)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.59
ADRB2 P07550 4/20 0.59
ADRB1 P08588 4/20 0.59
GHSR Q92847 12/20 0.52
EPHX1 P07099 2/20 0.44

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
SCHEMBL6075391 1.00 ADRB3 (0.59) ADRB3ADRB2ADRB1GHSREPHX1
SCHEMBL6074167 0.87 ADRB3 (0.79) ADRB3ADRB2ADRB1
SCHEMBL6074188 0.87 ADRB3 (0.79) ADRB3ADRB2ADRB1
SCHEMBL6074488 0.86 ADRB3 (0.57) ADRB3ADRB2ADRB1GHSR
SCHEMBL6074649 0.83 KMT2A (0.50) ADRB3ADRB2ADRB1
SCHEMBL6074655 0.83 KMT2A (0.50) ADRB3ADRB2ADRB1
SCHEMBL6074990 0.79 ADRB3 (0.54) ADRB3ADRB2ADRB1
SCHEMBL6074094 0.78 ADRB3 (0.79) ADRB3ADRB2ADRB1GHSR
SCHEMBL6074386 0.78 ADRB3 (0.68) ADRB3ADRB2ADRB1GHSR
SCHEMBL6074516 0.77 GFER (0.58) 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 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
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN claimed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US claimed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US claimed
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN 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
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 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 (3 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 ADRB3 757/4885ADRB2 711/4885ADRB1 472/4885
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.