SCHEMBL6807092

SCHEMBL6807092

COc1ccc(NS(=O)(=O)c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c6ccccc6c45)CC3)cc2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.72
ADRB1 P08588 2/20 0.64
ADRB2 P07550 4/20 0.48
DRD2 P14416 3/20 0.48
MAPT P10636 2/20 0.48
TLR4 O00206 2/20 0.48
DNM1 Q05193 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
KCNK2 O95069 1/20 0.48
ABCB11 O95342 1/20 0.48
APP P05067 1/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7160947 1.00 ADRB3 (0.72) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL6074152 0.96 ADRB3 (0.75) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL6074546 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL7249560 0.89 ADRB3 (0.68) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL6074669 0.88 ADRB3 (0.61) ADRB3ADRB1ADRB2TLR4DNM1
SCHEMBL6075243 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2TLR4DNM1
SCHEMBL6074218 0.87 ADRB3 (0.75) ADRB3ADRB1ADRB2TLR4DNM1
SCHEMBL6799204 0.87 ADRB3 (0.72) ADRB3ADRB1ADRB2SLC6A2SLC6A4
SCHEMBL6074805 0.85 ADRB3 (0.65) ADRB3ADRB1ADRB2DRD2MAPT
SCHEMBL6983825 0.84 ADRB3 (1.00) ADRB3ADRB1ADRB2DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US claimed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US claimed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists WYETH 2003-02-06 US disclosed
US-6444685-B1 THERAPY FOR METABOLISM DISEASES; DIETETICS; ANTIDIABETIC AGENTS WYETH 2002-09-03 US disclosed
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION 2002-03-07 US disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES 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-20030027795-A1 N-(4-sulfonylaryl)cyclylamine-2-hydroxyethylamines as beta-3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 ADRB3 1/4885ADRB1 2/4885ADRB2 3/4885
US-20020028797-A1 N-(4-sulfonylaryl)Cyclylamine 2-hydroxyethylamines 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.