SCHEMBL7116286

SCHEMBL7116286

Nc1ccc(CCNC[C@H](O)COc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.65
ADRB1 P08588 6/20 0.65
ADRB3 P13945 10/20 0.65
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL2605637 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL7114272 0.80 KMT2A (0.79) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL7097357 0.79 ADRB3 (1.00) ADRB2ADRB1ADRB3
SCHEMBL7124422 0.78 ADRB1 (0.59) ADRB2ADRB1ADRB3
SCHEMBL7114736 0.78 ADRB3 (0.79) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL7116296 0.78 ADRB3 (0.79) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL7119163 0.78 ADRB3 (0.79) ADRB2ADRB1ADRB3
SCHEMBL7112821 0.77 ADRB3 (0.64) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL8793795 0.76 ADRB3 (0.65) ADRB2ADRB1ADRB3KMT2AMAPT
SCHEMBL9270399 0.76 ADRB3 (0.65) ADRB2ADRB1ADRB3KMT2AMAPT

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