SCHEMBL6074546

SCHEMBL6074546

COc1ccc(S(=O)(=O)Nc2ccc(N3CC(NC[C@H](O)COc4cccc5[nH]c6ccccc6c45)C3)cc2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.68
ADRB1 P08588 2/20 0.58
TLR4 O00206 5/20 0.49
ADRB2 P07550 4/20 0.49
DRD2 P14416 3/20 0.49
MAPT P10636 2/20 0.49
DNM1 Q05193 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
KCNK2 O95069 1/20 0.49
ABCB11 O95342 1/20 0.49
APP P05067 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL7249560 1.00 ADRB3 (0.68) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074152 0.93 ADRB3 (0.75) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL7160947 0.89 ADRB3 (0.72) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6807092 0.89 ADRB3 (0.72) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074082 0.88 ADRB3 (0.55) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074200 0.87 ADRB3 (0.68) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074817 0.85 ADRB3 (0.54) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074211 0.81 ADRB3 (0.54) ADRB3ADRB1TLR4ADRB2DRD2
SCHEMBL6074669 0.81 ADRB3 (0.61) ADRB3ADRB1TLR4ADRB2DNM1
SCHEMBL6983825 0.81 ADRB3 (1.00) ADRB3ADRB1TLR4ADRB2DRD2

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
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 2/4885ADRB1 1/4885TLR4 630/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885TLR4 630/4885

“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.