SCHEMBL5196191

SCHEMBL5196191

Cc1oc2cc(OCCNCC(O)c3cccc(NS(C)(=O)=O)c3)ccc2c1C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.67
ADRA1A P35348 11/20 0.67
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45

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
Hydrochloric Acid SCHEMBL5197928 0.99 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5197931 0.99 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4484869 0.90 ADRB3 (0.63) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL6912064 0.88 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL6912057 0.88 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4484184 0.88 ADRB3 (0.62) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4635074 0.88 ADRB3 (0.62) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4473479 0.88 ADRB3 (0.62) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7107163 0.88 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7107167 0.88 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3

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
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP claimed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US claimed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US claimed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 EP claimed
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US 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 ADRB3 2/4885ADRA1A 44/4885DRD2 263/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 ADRB3 953/4885ADRA1A 1421/4885DRD2 182/4885

“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.