Sugi Predict

Sugi Predict / Compounds / SCHEMBL7117682

SCHEMBL7117682

SCHEMBL7117682

CC(C)(C)OC(=O)N(CCc1ccc(N)cc1)C[C@H](O)COc1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.54
▸ LTB4R Q15722 2/20 0.44
▸ LTB4R2 Q9NPC1 2/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ BCHE P06276 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ HIF1A Q16665 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
▸ MAOB P27338 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ PTGES O14684 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
SCHEMBL7122878 0.94 ADRB3 (0.60) ADRB3LTB4RLTB4R2ALOX5ABCB1
SCHEMBL7114253 0.91 ADRB3 (0.57) ADRB3ABCB1ALDH1A1TSHRHIF1A
SCHEMBL7115609 0.91 ADRB3 (0.62) ADRB3ABCB1ALDH1A1CYP1A2CYP2D6
SCHEMBL7115615 0.89 ADRB3 (0.62) ADRB3ABCB1ALDH1A1CYP1A2CYP2D6
SCHEMBL7112815 0.88 LTB4R (0.47) LTB4RLTB4R2ALOX5ABCB1BCHE
SCHEMBL7123781 0.87 ADRB3 (0.61) ADRB3ABCB1ALDH1A1CYP1A2CYP2D6
SCHEMBL7117684 0.86 ADRB3 (0.48) ADRB3LTB4RLTB4R2ALOX5ABCB1
SCHEMBL7114258 0.84 ADRB3 (0.50) ADRB3ABCB1ALDH1A1CYP1A2CYP2D6
SCHEMBL7116378 0.84 ADRB3 (0.63) ADRB3ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL7593730 0.83 ADRB3 (0.49) ADRB3LTB4RLTB4R2ALOX5ABCB1

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 3/4885LTB4R 574/4885LTB4R2 617/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885LTB4R 574/4885LTB4R2 617/4885

“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.