SCHEMBL6864707

SCHEMBL6864707

O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.76
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DCTPP1 Q9H773 1/20 0.51
ADRB2 P07550 4/20 0.49
ADRB1 P08588 4/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6864709 1.00 ADRB3 (0.76) ADRB3GRIN1GRIN2BMEN1KMT2A
SCHEMBL6876548 0.93 ADRB3 (0.87) ADRB3MEN1KMT2ADCTPP1ADRB2
SCHEMBL6864663 0.93 ADRB3 (0.87) ADRB3GRIN1GRIN2BMEN1KMT2A
SCHEMBL6876544 0.93 ADRB3 (0.87) ADRB3MEN1KMT2ADCTPP1ADRB2
SCHEMBL6864669 0.93 ADRB3 (0.87) ADRB3GRIN1GRIN2BMEN1KMT2A
Hydrochloric Acid SCHEMBL6871488 0.92 ADRB3 (0.86) ADRB3MEN1KMT2ADCTPP1ADRB2
Hydrochloric Acid SCHEMBL6871484 0.92 ADRB3 (0.86) ADRB3MEN1KMT2ADCTPP1ADRB2
SCHEMBL6870860 0.92 ADRB3 (0.75) ADRB3GRIN1GRIN2BMEN1KMT2A
SCHEMBL6870865 0.92 ADRB3 (0.75) ADRB3GRIN1GRIN2BMEN1KMT2A
SCHEMBL6075277 0.83 ADRB3 (0.65) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US claimed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US claimed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US claimed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
US-6821991-B2 FOR THERAPY OF METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA (ASSOCIATED WITH OBESITY OR GLUCOSE INTOLERANCE), ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, FREQUENT URINATION WYETH 2004-11-23 US disclosed
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2003-09-18 US disclosed
US-6583140-B2 Useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders WYETH 2003-06-24 US disclosed
US-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists WYETH 2002-11-14 US disclosed
US-6410734-B1 INSULIN RESISTANCE; HYPOGLYCEMIC AGENTS; ANTICHOLESTEROL AGENTS; GASTROINTESTINAL DISORDERS WYETH 2002-06-25 US disclosed
WO-2002006281-A1 2-SUBSTITUTED THIAZOLIDINONES 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-20020169325-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885GRIN1 1147/4885GRIN2B 742/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ADRB3 2/4885GRIN1 1147/4885GRIN2B 742/4885

“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.