SCHEMBL7124858

SCHEMBL7124858

O=C(O)N(CCc1ccc(NCc2ccc(Br)cc2)cc1)C[C@H](O)COc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.47
ADRB3 P13945 8/20 0.47
ADRB2 P07550 2/20 0.47
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7124863 0.97 MAPT (0.46) ADRB1ADRB3ADRB2FFAR1FFAR4
SCHEMBL7118226 0.93 MAPT (0.50) ADRB1ADRB3ADRB2FFAR1FFAR4
SCHEMBL7168533 0.92 AGER (0.48) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7117695 0.88 ADRB3 (0.53) ADRB1ADRB3ADRB2FFAR1FFAR4
SCHEMBL7117697 0.85 ADRB3 (0.54) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7018996 0.85 MAPT (0.50) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7018991 0.85 MAPT (0.50) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7118263 0.80 ADRB3 (0.54) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7012718 0.80 ALDH1A1 (0.49) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL7012719 0.80 ALDH1A1 (0.49) ADRB1ADRB3ADRB2MAPTALDH1A1

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 ADRB1 2/4885ADRB3 3/4885ADRB2 4/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885ADRB2 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.