SCHEMBL5193489

SCHEMBL5193489

CC[Si](CC)(CC)O[C@@H](CNCCOc1ccc2c(C)c(C)[nH]c2c1)c1ccc(Cl)c(NS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.42
ADRB3 P13945 15/20 0.41
ADRA1A P35348 11/20 0.41
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.38
MCL1 Q07820 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
SCHEMBL5193784 1.00 DRD2 (0.44) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL5196537 0.91 DRD2 (0.46) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL5196543 0.91 DRD2 (0.46) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL7123003 0.90 DRD2 (0.47) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL7108285 0.90 DRD2 (0.47) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL7108283 0.90 DRD2 (0.47) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL5195244 0.87 ADRB3 (0.55) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL5195251 0.87 ADRB3 (0.55) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL7980847 0.87 DRD2 (0.41) DRD2DRD3DRD4ADRB3ADRA1A
SCHEMBL5193790 0.85 ADRB3 (0.53) DRD2DRD3DRD4ADRB3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
EP-1756086-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US disclosed
WO-2005118568-A1 PYRIDIN-4-YL-ETHYNYL-IMIDAZOLES AND PYRAZOLES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 EP 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH DRD2 263/4885DRD3 103/4885DRD4 365/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 DRD2 182/4885DRD3 87/4885DRD4 159/4885

“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.