SCHEMBL7119532

SCHEMBL7119532

Nc1ccc(CCN(C[C@@H](O)COc2cccc3[nH]c(=O)[nH]c23)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.51
ADRB2 P07550 4/20 0.48
ADRB1 P08588 4/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CASR P41180 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ABCB1 P08183 5/20 0.38
HTR1A P08908 1/20 0.36

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
SCHEMBL7115566 0.88 ADRB3 (0.51) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7114481 0.82 ADRB2 (0.48) ADRB3ADRB2ADRB1KMT2ALMNA
SCHEMBL7167851 0.82 ADRB3 (0.45) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7123774 0.81 ABCB1 (0.42) ADRB3CYP1A2CYP2D6KCNH2ABCB1
SCHEMBL7012719 0.77 ALDH1A1 (0.49) ADRB3ADRB2ADRB1CYP1A2CYP2D6
SCHEMBL7012718 0.77 ALDH1A1 (0.49) ADRB3ADRB2ADRB1CYP1A2CYP2D6
SCHEMBL7960965 0.77 ADRB3 (0.56) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7960959 0.77 ADRB3 (0.56) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7123752 0.76 L3MBTL1 (0.41) ADRB3KMT2AABCB1
SCHEMBL7122493 0.75 MAPT (0.54) ADRB3ADRB2ADRB1MEN1CYP1A2

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 4 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

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

“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.