SCHEMBL6912018

SCHEMBL6912018

O[C@H](CNCCOc1ccc2c(c1)[nH]c1ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
ADRB3 P13945 13/20 0.48
ADRA1A P35348 6/20 0.48
ADRB1 P08588 5/20 0.48
ADRB2 P07550 3/20 0.47
ALDH1A1 P00352 1/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6905931 1.00 ALOX15 (0.54) ALOX15ADRB3ADRA1AADRB1ADRB2
SCHEMBL6912318 1.00 ALOX15 (0.54) ALOX15ADRB3ADRA1AADRB1ADRB2
Hydrochloric Acid SCHEMBL7108157 0.99 ALOX15 (0.56) ALOX15ADRB3ADRA1AADRB1ADRB2
Hydrochloric Acid SCHEMBL7113305 0.99 ALOX15 (0.56) ALOX15ADRB3ADRA1AADRB1ADRB2
Hydrochloric Acid SCHEMBL7111563 0.99 ALOX15 (0.56) ALOX15ADRB3ADRA1AADRB1ADRB2
SCHEMBL6914729 0.92 ALOX15 (0.46) ALOX15ADRB3ADRA1AADRB1ADRB2
SCHEMBL7108272 0.92 ALOX15 (0.46) ALOX15ADRB3ADRA1AADRB1ADRB2
Hydrochloric Acid SCHEMBL7116547 0.91 ALOX15 (0.47) ALOX15ADRB3ADRA1AADRB1ADRB2
SCHEMBL7111336 0.91 CTSV (0.55) ALOX15ADRB3ADRB1ADRB2CTSV
SCHEMBL6911048 0.90 ADRB3 (0.49) ALOX15ADRB3ADRA1AADRB2

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 11 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
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 ALOX15 982/4885ADRB3 1/4885ADRA1A 21/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 ALOX15 3380/4885ADRB3 3/4885ADRA1A 7/4885
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 ALOX15 754/4885ADRB3 6/4885ADRA1A 54/4885

“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.