SCHEMBL7124404

SCHEMBL7124404

O=C1NC(=O)C(Nc2ccc(CCN(C[C@H](O)COc3ccc(OCc4ccccc4)cc3)C(=O)O)cc2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.40
ADRB1 P08588 7/20 0.40
ADRB3 P13945 7/20 0.40
BCHE P06276 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 3/20 0.39
FFAR1 O14842 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ADRB2 P07550 4/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7118923 0.96 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7121609 0.94 LTB4R (0.38) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7118914 0.94 ADRB1 (0.41) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7122452 0.93 ADRB1 (0.41) ADRB1ADRB3ADRB2
SCHEMBL7115868 0.92 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7120389 0.90 ADRB3 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7122303 0.90 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7118928 0.90 ADRB3 (0.40) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7122522 0.88 ADRB3 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7114772 0.85 ADRB3 (0.48) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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 MAPT 1291/4885ALDH1A1 1058/4885CYP1A2 432/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 MAPT 1291/4885ALDH1A1 1058/4885CYP1A2 432/4885

“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.