SCHEMBL6865646

SCHEMBL6865646

CN1CCN(C2=NC(=O)C(=Cc3ccc(N4CCC(=O)CC4)cc3)S2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.67
GRIN1 Q05586 1/20 0.62
GRIN2B Q13224 1/20 0.62
DCTPP1 Q9H773 1/20 0.61
MCHR1 Q99705 1/20 0.61
MAPT P10636 6/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
ALOX5 P09917 1/20 0.54
IDE P14735 1/20 0.54

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
SCHEMBL6865640 1.00 ENPP2 (0.67) ENPP2GRIN1GRIN2BDCTPP1MCHR1
SCHEMBL6870971 0.88 RAB9A (0.70) GRIN1GRIN2BDCTPP1MAPTHTT
SCHEMBL6870969 0.88 RAB9A (0.70) GRIN1GRIN2BDCTPP1MAPTHTT
SCHEMBL6864814 0.87 MEN1 (0.61) GRIN1GRIN2BDCTPP1MAPTHTT
SCHEMBL6864809 0.87 MEN1 (0.61) GRIN1GRIN2BDCTPP1MAPTHTT
SCHEMBL6874189 0.83 ENPP2 (0.57) ENPP2GRIN1GRIN2BDCTPP1MCHR1
SCHEMBL7214894 0.83 ENPP2 (0.57) ENPP2GRIN1GRIN2BDCTPP1MCHR1
SCHEMBL6874587 0.79 ALOX5 (0.49) ENPP2GRIN1GRIN2BDCTPP1MAPT
SCHEMBL6874592 0.79 ALOX5 (0.49) ENPP2GRIN1GRIN2BDCTPP1MAPT
SCHEMBL4357485 0.79 DCTPP1 (0.78) ENPP2GRIN1GRIN2BDCTPP1MAPT

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
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 ENPP2 2468/4885GRIN1 1147/4885GRIN2B 742/4885
US-20030176412-A1 2-substituted thiazolidinones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ENPP2 2468/4885GRIN1 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.