SCHEMBL7122769

SCHEMBL7122769

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

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.76
ADRB1 P08588 18/20 0.76
ADRB2 P07550 11/20 0.76
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7119163 0.95 ADRB3 (0.79) ADRB3ADRB1ADRB2
SCHEMBL9683368 0.94 ADRB3 (0.74) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL9683373 0.94 ADRB3 (0.74) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7111902 0.90 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7115574 0.89 ADRB3 (0.78) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7686851 0.89 ADRB3 (0.78) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL7097357 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL15275450 0.86 ADRB3 (0.76) ADRB3ADRB1ADRB2MEN1MAPT
SCHEMBL27478454 0.86 ADRB1 (0.78) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL7114736 0.85 ADRB3 (0.79) ADRB3ADRB1ADRB2MEN1MAPT

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 3/4885ADRB1 2/4885ADRB2 4/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885ADRB2 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.