Sugi Predict

Sugi Predict / Compounds / SCHEMBL7116396

SCHEMBL7116396

SCHEMBL7116396

COc1ccc(OC[C@@H](O)CN(CCc2ccc(N)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 8/20 0.63
▸ CASR P41180 2/20 0.42
▸ ADRB2 P07550 6/20 0.41
▸ ADRB1 P08588 4/20 0.41
▸ ABCB1 P08183 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL7116378 0.92 ADRB3 (0.63) ADRB3ADRB2ADRB1ALDH1A1CYP1A2
SCHEMBL7122900 0.91 ADRB3 (0.62) ADRB3ADRB2ADRB1ALDH1A1CYP1A2
SCHEMBL7115594 0.91 ADRB3 (0.62) ADRB3CASRADRB2ADRB1MEN1
SCHEMBL7115609 0.91 ADRB3 (0.62) ADRB3CASRADRB2ADRB1ABCB1
SCHEMBL7115615 0.91 ADRB3 (0.62) ADRB3CASRABCB1MEN1KMT2A
SCHEMBL7123781 0.89 ADRB3 (0.61) ADRB3CASRADRB2ADRB1ABCB1
SCHEMBL7122878 0.88 ADRB3 (0.60) ADRB3CASRADRB2ADRB1ABCB1
SCHEMBL7121323 0.86 ADRB3 (0.48) ADRB3CASRADRB2ADRB1ABCB1
SCHEMBL7114253 0.85 ADRB3 (0.57) ADRB3CASRADRB2ADRB1ABCB1
SCHEMBL7122310 0.82 ADRB3 (0.56) ADRB3CASRADRB2ADRB1MEN1

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 3/4885CASR 1259/4885ADRB2 4/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885CASR 1259/4885ADRB2 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.