SCHEMBL7121360

SCHEMBL7121360

Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.66
ADRB2 P07550 11/20 0.66
ADRB3 P13945 17/20 0.62

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
SCHEMBL7124327 1.00 ADRB1 (0.66) ADRB1ADRB2ADRB3
SCHEMBL9830900 0.88 ADRB1 (0.67) ADRB1ADRB2ADRB3
SCHEMBL7989952 0.87 ADRB3 (0.85) ADRB1ADRB2ADRB3
SCHEMBL7989947 0.87 ADRB3 (0.85) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL4582623 0.86 ADRB3 (0.73) ADRB1ADRB2ADRB3
SCHEMBL16596122 0.83 ADRB2 (0.71) ADRB1ADRB2ADRB3
SCHEMBL7118929 0.83 ADRB2 (0.71) ADRB1ADRB2ADRB3
SCHEMBL28582068 0.83 ADRB2 (0.71) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL1405554 0.82 ADRB2 (0.69) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL28435050 0.82 ADRB2 (0.69) ADRB1ADRB2ADRB3

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

“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.