Sugi Predict

Sugi Predict / Compounds / SCHEMBL7122310

SCHEMBL7122310

SCHEMBL7122310

CC(C)(C)OC(=O)N(CCc1ccc(N)cc1)C[C@H](O)COc1ccc2occc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 2/20 0.56
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CASR P41180 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL7118208 0.87 ADRB3 (0.42) ADRB3MRGPRX4MEN1KMT2AKCNH2
SCHEMBL7116378 0.82 ADRB3 (0.63) ADRB3CYP2D6SLC6A2MAPTADRB1
SCHEMBL7116396 0.82 ADRB3 (0.63) ADRB3MEN1KMT2ACYP2D6CASR
SCHEMBL7114253 0.82 ADRB3 (0.57) ADRB3MEN1KMT2AKCNH2CYP2D6
SCHEMBL7115594 0.82 ADRB3 (0.62) ADRB3MEN1KMT2AKCNH2CYP2D6
SCHEMBL7122900 0.82 ADRB3 (0.62) ADRB3KCNH2CYP2D6MAPTADRB1
SCHEMBL7115615 0.81 ADRB3 (0.62) ADRB3MEN1KMT2AKCNH2CYP2D6
SCHEMBL7115609 0.81 ADRB3 (0.62) ADRB3MEN1KMT2AKCNH2CYP2D6
SCHEMBL7123781 0.80 ADRB3 (0.61) ADRB3KCNH2CYP2D6CASRSLC6A2
SCHEMBL7122878 0.79 ADRB3 (0.60) ADRB3KCNH2CYP2D6CASRSLC6A2

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 3/4885MRGPRX4 48/4885MEN1 1800/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885MRGPRX4 48/4885MEN1 1800/4885

“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.