SCHEMBL7121609

SCHEMBL7121609

O=C1NC(=O)C(Nc2ccc(CCN(C[C@H](O)COc3cccc(OCc4ccccc4)c3)C(=O)O)cc2)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALOX5 P09917 1/20 0.38
ABCB1 P08183 1/20 0.37
FFAR1 O14842 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
PTGES O14684 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL7124404 0.94 MAPT (0.41) LTB4RLTB4R2ALOX5ABCB1FFAR1
SCHEMBL7122522 0.92 ADRB3 (0.39) ALDH1A1KCNH2ADRB1ADRB3CYP1A2
SCHEMBL7118914 0.92 ADRB1 (0.41) ABCB1FFAR1ALDH1A1KCNH2ADRB1
SCHEMBL7118923 0.90 ALDH1A1 (0.44) ABCB1ALDH1A1TSHRKCNH2ADRB1
SCHEMBL7115868 0.89 ALDH1A1 (0.40) ABCB1FFAR1ALDH1A1KCNH2ADRB1
SCHEMBL7122452 0.88 ADRB1 (0.41) ADRB1ADRB3ADRB2
SCHEMBL7122528 0.85 MAPT (0.39) ABCB1ALDH1A1KCNH2ADRB1ADRB3
SCHEMBL7118928 0.84 ADRB3 (0.40) FFAR1ALDH1A1KCNH2ADRB1ADRB3
SCHEMBL7120389 0.84 ADRB3 (0.39) ALDH1A1KCNH2ADRB1ADRB3CYP1A2
SCHEMBL7122303 0.84 ALDH1A1 (0.40) ALDH1A1KCNH2ADRB1ADRB3CYP1A2

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 LTB4R 574/4885LTB4R2 617/4885ALOX5 2884/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 LTB4R 574/4885LTB4R2 617/4885ALOX5 2884/4885

“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.