SCHEMBL7122568

SCHEMBL7122568

Nc1ccc(CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRB3 P13945 2/20 0.46
ABCB1 P08183 3/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 3/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7012719 0.95 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7012718 0.95 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7122493 0.93 MAPT (0.54) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7111923 0.90 MAPT (0.50) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7118196 0.89 ADRB3 (0.56) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7115567 0.88 ADRB3 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7121323 0.88 ADRB3 (0.48) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7123781 0.87 ADRB3 (0.61) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7114588 0.87 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7112815 0.85 LTB4R (0.47) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9

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