SCHEMBL7120122

SCHEMBL7120122

O=C1NC(=O)C(Nc2ccc(CCNC[C@H](O)COc3ccc4occc4c3)cc2)S1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 14/20 0.48
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB3 P13945 14/20 0.45
ADRB2 P07550 7/20 0.45
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7115584 0.87 MEN1 (0.61) ADRB1MEN1MAPTMAPK1KMT2A
SCHEMBL7117666 0.84 ADRB3 (0.65) ADRB1ADRB3ADRB2
SCHEMBL7607897 0.84 ADRB3 (0.65) ADRB1ADRB3ADRB2
SCHEMBL7117767 0.83 MRGPRX4 (0.34) ADRB1MEN1MAPTMAPK1KMT2A
SCHEMBL7695772 0.83 ADRB1 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7122566 0.83 ADRB1 (0.54) ADRB1ADRB3ADRB2
SCHEMBL7122436 0.83 ADRB3 (0.55) ADRB1ADRB3ADRB2
SCHEMBL7115858 0.83 ADRB3 (0.62) ADRB1KMT2AADRB3ADRB2
SCHEMBL7124422 0.83 ADRB1 (0.59) ADRB1ADRB3ADRB2
SCHEMBL7598292 0.82 ADRB1 (0.61) ADRB1ADRB3ADRB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002006258-A1 AZOLIDINES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
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 2/4885MEN1 1800/4885MAPT 1291/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 ADRB1 2/4885MEN1 1800/4885MAPT 1291/4885

“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.