SCHEMBL7118263

SCHEMBL7118263

CC(C)(C)OC(=O)N(CCc1ccc(NCc2ccc(Br)cc2)cc1)C[C@H](O)COc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.54
ADRB1 P08588 9/20 0.43
ADRB2 P07550 6/20 0.43
AGER Q15109 1/20 0.43
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL7117697 0.93 ADRB3 (0.54) ADRB3ADRB1ADRB2MEN1GAA
SCHEMBL7117695 0.92 ADRB3 (0.53) ADRB3ADRB1ADRB2MEN1GAA
SCHEMBL7168533 0.87 AGER (0.48) ADRB3ADRB1ADRB2AGERMEN1
SCHEMBL7116378 0.82 ADRB3 (0.63) ADRB3ADRB1ADRB2MAPTALDH1A1
SCHEMBL7124863 0.81 MAPT (0.46) ADRB3ADRB1ADRB2MEN1GAA
SCHEMBL7124858 0.80 ADRB1 (0.47) ADRB3ADRB1ADRB2MEN1GAA
SCHEMBL7118226 0.80 MAPT (0.50) ADRB3ADRB1ADRB2MEN1GAA
SCHEMBL7170035 0.78 ADRB3 (0.50) ADRB3ADRB1ADRB2MAPK1
SCHEMBL7116396 0.75 ADRB3 (0.63) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7115594 0.74 ADRB3 (0.62) ADRB3ADRB1ADRB2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 US disclosed
WO-2002006258-A1 AZOLIDINES 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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 4/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 4/4885

“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.