SCHEMBL5193548

SCHEMBL5193548

Cc1c(-c2ccccc2)[nH]c2cc(OCCNCc3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
DRD4 P21917 6/20 0.51
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
MAOA P21397 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 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
SCHEMBL5193310 0.88 PPARG (0.56) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL7244085 0.84 PPARG (0.60) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL7250601 0.83 PPARG (0.56) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL7256547 0.83 PPARG (0.56) PPARGDRD4DRD2DRD3ADRA1D
Hydrochloric Acid SCHEMBL7253613 0.82 PPARG (0.55) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL7256938 0.82 PPARG (0.58) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL5195427 0.82 F2 (0.43) MAOAKMT2A
SCHEMBL7252088 0.81 PPARG (0.59) PPARGDRD4DRD2DRD3ADRA1D
SCHEMBL5195006 0.80 L3MBTL1 (0.57) PPARG
SCHEMBL7256394 0.80 DRD4 (0.58) PPARGDRD4DRD2DRD3ADRA1D

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 5 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-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US claimed
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 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

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 PPARG 717/4885DRD4 365/4885DRD2 263/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 PPARG 1471/4885DRD4 159/4885DRD2 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.