SCHEMBL6906599

SCHEMBL6906599

O=CNc1cc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.61
ADRB1 P08588 8/20 0.49
ADRB3 P13945 7/20 0.49
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
ADRA1A P35348 3/20 0.45
PGR P06401 1/20 0.45
SLC6A4 P31645 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43

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 SCHEMBL7105691 0.99 ADRB2 (0.60) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL6915308 0.89 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL6912195 0.88 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD3
Hydrochloric Acid SCHEMBL7113371 0.88 ADRB2 (0.46) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL6908028 0.88 ADRB3 (0.56) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7110210 0.88 ADRB2 (0.46) ADRB2ADRB1ADRB3DRD2DRD3
SCHEMBL6908024 0.88 ADRB3 (0.56) ADRB3ADRA1A
SCHEMBL6911772 0.88 ADRB3 (0.56) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7106644 0.87 ADRB3 (0.55) ADRB3ADRA1A
Hydrochloric Acid SCHEMBL7108639 0.87 ADRB3 (0.55) ADRB3ADRA1A

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-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP claimed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP claimed
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance KADOWAKI TAKASHI (JP) 2004-12-02 US disclosed
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
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 (3 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 ADRB2 14/4885ADRB1 5/4885ADRB3 1/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 ADRB2 2/4885ADRB1 1/4885ADRB3 3/4885
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 ADRB2 17/4885ADRB1 11/4885ADRB3 6/4885

“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.