SCHEMBL6980370

SCHEMBL6980370

COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(=O)[nH]c34)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 1.00
ADRB1 P08588 6/20 0.74
ADRB2 P07550 5/20 0.55
CYP2D6 P10635 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
CASR P41180 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.50
CCR6 P51684 1/20 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
SCHEMBL6980373 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7247806 0.91 ADRB3 (0.84) ADRB3ADRB1ADRB2MEN1CYP1A2
SCHEMBL7233821 0.91 ADRB3 (0.84) ADRB3ADRB1ADRB2MEN1CYP1A2
SCHEMBL6984552 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL6984549 0.91 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7138261 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7138254 0.90 ADRB3 (0.82) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL6074773 0.85 ADRB3 (0.74) ADRB3ADRB1ADRB2CYP2D6SLC6A2
SCHEMBL7594941 0.85 ADRB3 (1.00) ADRB3ADRB1ADRB2SLC6A2SLC6A4
SCHEMBL6983938 0.85 ADRB3 (1.00) ADRB3ADRB1ADRB2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP claimed
US-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US claimed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US claimed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 US disclosed
EP-1328512-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-07-23 EP disclosed
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists WYETH (US) 2003-02-06 US disclosed
US-6498170-B2 4-((2S)-3-(1-(4-BUTOXY-BENZENESULFONYL)-AZETIDIN-3-YLAMINO)-2 -HYDROXY- PROPOXY)-PHENOL FOR EXAMPLE; HYPOGLYCEMIC AGENT; INCREASING LEAN MEAT TO FAT RATIO IN MAMMALS WYETH 2002-12-24 US disclosed
US-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 US disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS 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-20020022605-A1 Cyclamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885
US-20030027797-A1 Cyclylamine sulfonamides as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885

“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.