SCHEMBL6914729

SCHEMBL6914729

Oc1ccc(C(O)CNCCOc2ccc3c(c2)[nH]c2ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
ADRB2 P07550 6/20 0.45
ADRB3 P13945 8/20 0.44
ADRA1A P35348 5/20 0.44
ADRB1 P08588 6/20 0.43
DRD4 P21917 5/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD1 P21728 3/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TLR4 O00206 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
APP P05067 1/20 0.40

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 SCHEMBL7116547 0.99 ALOX15 (0.47) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL6912018 0.92 ALOX15 (0.54) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL6912318 0.92 ALOX15 (0.54) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL6905931 0.92 ALOX15 (0.54) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL7108272 0.91 ALOX15 (0.46) ALOX15ADRB2ADRB3ADRA1AADRB1
Hydrochloric Acid SCHEMBL7111563 0.91 ALOX15 (0.56) ALOX15ADRB2ADRB3ADRA1AADRB1
Hydrochloric Acid SCHEMBL7113305 0.91 ALOX15 (0.56) ALOX15ADRB2ADRB3ADRA1AADRB1
Hydrochloric Acid SCHEMBL7108157 0.91 ALOX15 (0.56) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL7118660 0.91 ADRB3 (0.47) ALOX15ADRB2ADRB3ADRA1AADRB1
SCHEMBL7111336 0.90 CTSV (0.55) ALOX15ADRB2ADRB3ADRB1CTSV

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
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance KADOWAKI TAKASHI (JP) 2004-12-02 US 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-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 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
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO 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 ALOX15 982/4885ADRB2 14/4885ADRB3 1/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 ALOX15 3380/4885ADRB2 2/4885ADRB3 3/4885
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 ALOX15 754/4885ADRB2 17/4885ADRB3 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.