SCHEMBL4816769

SCHEMBL4816769

NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.66
ADRB2 P07550 4/20 0.66
ADRB1 P08588 4/20 0.66
ALOX15 P16050 2/20 0.66
CYP1A2 P05177 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
LMNA P02545 1/20 0.65
KCNH2 Q12809 2/20 0.53
CYP2D6 P10635 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
CASR P41180 1/20 0.53
SLC6A3 Q01959 1/20 0.53
NR2E1 Q9Y466 1/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
TSHR P16473 2/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL4816760 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ALOX15CYP1A2
SCHEMBL4816774 1.00 ADRB3 (0.66) ADRB3ADRB2ADRB1ALOX15CYP1A2
SCHEMBL13959117 0.86 ADRB3 (0.70) ADRB3ADRB2ADRB1ALOX15CYP1A2
SCHEMBL10594616 0.81 ADRB3 (0.80) ADRB3ADRB2ADRB1ALOX15CYP1A2
SCHEMBL11242745 0.81 ADRB2 (0.73) ADRB3ADRB2ADRB1ALOX15CYP1A2
Hydrochloric Acid SCHEMBL11248041 0.80 ADRB2 (0.73) ADRB3ADRB2ADRB1ALOX15CYP1A2
Cgp-12177 SCHEMBL2016211 0.80 ADRB2 (1.00) ADRB3ADRB2ADRB1ALOX15CYP1A2
Cgp-12177 SCHEMBL12329633 0.80 ADRB2 (1.00) ADRB3ADRB2ADRB1ALOX15CYP1A2
SCHEMBL13889875 0.79 ADRB3 (0.70) ADRB3ADRB2ADRB1ALOX15CYP1A2
Cgp-12177 SCHEMBL4538049 0.79 ADRB2 (1.00) ADRB3ADRB2ADRB1ALOX15CYP1A2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093001-A1 HIGH CONTENT SCREENING UNIVERSITY OF NOTTINGHAM 2009-04-09 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US disclosed
US-6743787-B2 FOR THERAPY OF METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA IN A MAMMAL WYETH 2004-06-01 US disclosed
US-6649603-B2 For therapy of metabolic disorders related to insulin resistance or hyperglycemia WYETH 2003-11-18 US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006221-A2 CYCLYLAMINE SULFONAMIDES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
WO-2002006274-A1 N-(4-SULFONYLARYL)CYCLYLAMINE-2-HYDROXYETHYLAMINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6075040-A OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 EP 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 (4 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-20090093001-A1 HIGH CONTENT SCREENING CD69, PMAIP1, HCFC1 ADRB3 876/4885ADRB2 1097/4885ADRB1 602/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ADRB3 5/4885ADRB2 1/4885ADRB1 4/4885
US-20030176412-A1 2-substituted thiazolidinones as 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.