SCHEMBL6074582

SCHEMBL6074582

NC[C@H](O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.67
DNM1 Q05193 2/20 0.67
TLR4 O00206 6/20 0.62
NR2E1 Q9Y466 1/20 0.61
ADRB3 P13945 7/20 0.58
ADRB1 P08588 5/20 0.58
DRD2 P14416 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
MLNR O43193 1/20 0.58
NR1I2 O75469 1/20 0.58
KCNK2 O95069 1/20 0.58
ABCB11 O95342 1/20 0.58
APP P05067 1/20 0.58
ABCB1 P08183 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL5694608 1.00 ADRB2 (0.67) ADRB2DNM1TLR4NR2E1ADRB3
SCHEMBL13206928 0.86 ADRB2 (0.71) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL13206996 0.86 ADRB2 (0.71) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL4052917 0.86 ADRB2 (0.67) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL13206999 0.86 ADRB2 (0.71) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL4051858 0.86 ADRB2 (0.67) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL7405824 0.83 NR2E1 (0.61) ADRB2DNM1TLR4NR2E1ADRB3
SCHEMBL7134118 0.83 ADRB2 (0.70) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL3002063 0.83 ADRB2 (0.78) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL8295862 0.81 ADRB2 (0.67) ADRB2DNM1TLR4ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 US disclosed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 US disclosed
WO-2008058198-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR CARDIOME PHARMA CORP. (CA) 2008-05-15 WO disclosed
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-6699860-B2 ADRENERGIC BLOCKING AGENTS BAYER PHARMACEUTICALS CORPORATION 2004-03-02 US disclosed
EP-1343778-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2003-09-17 EP disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 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
WO-2002048134-A2 DI-SUBSTITUTED AMINOMETHYL CHROMAN DERIVATIVE BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-06-20 WO 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 (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 ADRB2 3/4885DNM1 3165/4885TLR4 630/4885
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 ADRB2 1/4885DNM1 2960/4885TLR4 4799/4885
US-20030078258-A1 Di-substituted aminomethyl-chroman derivative beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 ADRB2 3/4885DNM1 4010/4885TLR4 457/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB2 3/4885DNM1 3165/4885TLR4 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.