SCHEMBL5830302

SCHEMBL5830302

CC(C)CN(C[C@H](O)COc1cccc2[nH]c3ccccc3c12)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.53
DNM1 Q05193 2/20 0.53
TLR4 O00206 7/20 0.46
ADRB3 P13945 7/20 0.46
ADRB1 P08588 5/20 0.46
DRD2 P14416 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
KCNK2 O95069 1/20 0.46
ABCB11 O95342 1/20 0.46
APP P05067 1/20 0.46
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL5831720 0.95 ADRB2 (0.58) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL8573944 0.92 ADRB2 (0.52) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5831837 0.89 ADRB2 (0.49) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5830787 0.89 ADRB2 (0.53) ADRB2DNM1TLR4ADRB3ADRB1
Hydrochloric Acid SCHEMBL5831925 0.88 ADRB3 (0.54) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5831334 0.88 ADRB2 (0.50) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5831553 0.87 ADRB2 (0.53) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5830316 0.87 ADRB2 (0.49) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5831813 0.86 ADRB2 (0.49) ADRB2DNM1TLR4ADRB3ADRB1
SCHEMBL5830754 0.85 ADRB2 (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 ADRB2 2/4885DNM1 2572/4885TLR4 1131/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ADRB2 2/4885DNM1 3477/4885TLR4 285/4885

“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.