SCHEMBL7122522

SCHEMBL7122522

O=C1NC(=O)C(Nc2ccc(CCN(C[C@H](O)COc3cccc(O)c3)C(=O)O)cc2)S1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.39
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
ADRB1 P08588 9/20 0.35
ADRB2 P07550 1/20 0.35
PPARG P37231 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7121609 0.92 LTB4R (0.38) ADRB3KCNH2GAAATMADRB1
SCHEMBL7118914 0.92 ADRB1 (0.41) ADRB3KCNH2ADRB1ADRB2ALDH1A1
SCHEMBL7122452 0.91 ADRB1 (0.41) ADRB3ADRB1ADRB2
SCHEMBL7115921 0.90 ADRB3 (0.45) ADRB3KCNH2GAAATMADRB1
SCHEMBL7115868 0.88 ALDH1A1 (0.40) ADRB3KCNH2ADRB1ADRB2PPARG
SCHEMBL7118923 0.88 ALDH1A1 (0.44) ADRB3KCNH2GAAADRB1ADRB2
SCHEMBL7124404 0.88 MAPT (0.41) ADRB3KCNH2ADRB1ADRB2ALDH1A1
SCHEMBL7118928 0.86 ADRB3 (0.40) ADRB3KCNH2ADRB1ADRB2PPARG
SCHEMBL7120389 0.86 ADRB3 (0.39) ADRB3KCNH2ADRB1ADRB2PPARG
SCHEMBL7122303 0.86 ALDH1A1 (0.40) ADRB3KCNH2ADRB1ADRB2PPARG

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 3/4885KCNH2 758/4885GAA 1152/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885KCNH2 758/4885GAA 1152/4885

“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.