SCHEMBL7072929

SCHEMBL7072929

CN(C)S(=O)(=O)Nc1cc([C@@H](O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.48
ADRA1A P35348 5/20 0.46
ADRB2 P07550 5/20 0.46
CHRM3 P20309 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
SCHEMBL6912186 1.00 ADRB3 (0.48) ADRB3ADRA1AADRB2CHRM3
SCHEMBL6912191 1.00 ADRB3 (0.48) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7108170 0.99 ADRB3 (0.49) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7109733 0.99 ADRB3 (0.49) ADRB3ADRA1AADRB2CHRM3
Hydrochloric Acid SCHEMBL7108166 0.99 ADRB3 (0.49) ADRB3ADRA1AADRB2CHRM3
SCHEMBL6915519 0.92 ADRB3 (0.46) ADRB3ADRA1AADRB2CHRM3
SCHEMBL6908028 0.92 ADRB3 (0.56) ADRB3ADRA1A
SCHEMBL6911772 0.92 ADRB3 (0.56) ADRB3ADRA1A
SCHEMBL6908024 0.92 ADRB3 (0.56) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7105709 0.91 ADRB3 (0.46) ADRB3ADRA1AADRB2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP claimed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US claimed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP claimed
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent SMITHKLINE BEECHAM P.L.C. 2003-04-17 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
EP-1258253-A1 NOVEL REMEDIES WITH THE USE OF BETA3 AGONIST Asahi Kasei Kabushiki Kaisha (JP) 2002-11-20 EP disclosed
EP-1142883-A1 NOVEL HETEROCYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kabushiki Kaisha (JP) 2001-10-10 EP disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 ADRB3 1/4885ADRA1A 21/4885ADRB2 14/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 ADRB3 3/4885ADRA1A 7/4885ADRB2 2/4885

“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.