SCHEMBL7070541

SCHEMBL7070541

CC(=O)Nc1ccc2[nH]c3cc(OCCNCC(O)c4ccccc4)ccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX15 P16050 1/20 0.48
ADRB3 P13945 14/20 0.46
ADRA1A P35348 7/20 0.46
ADRB1 P08588 4/20 0.46
MAOA P21397 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6910798 0.88 ADRB3 (0.63) MTNR1AMTNR1BADRB3ADRA1AADRB1
Hydrochloric Acid SCHEMBL7168907 0.88 ADRB3 (0.62) MTNR1AMTNR1BADRB3ADRA1AADRB1
SCHEMBL7779239 0.85 ALOX15 (0.48) KDM4EALOX15ADRB3ADRA1AADRB1
SCHEMBL6912018 0.84 ALOX15 (0.54) KDM4EALOX15ADRB3ADRA1AADRB1
SCHEMBL6912318 0.84 ALOX15 (0.54) KDM4EALOX15ADRB3ADRA1AADRB1
SCHEMBL6905931 0.84 ALOX15 (0.54) KDM4EALOX15ADRB3ADRA1AADRB1
SCHEMBL6911728 0.84 ADRB3 (0.54) ADRB3ADRA1A
SCHEMBL7251996 0.84 ADRB3 (0.65) ADRB3ADRA1AADRB1
SCHEMBL7251999 0.84 ADRB3 (0.65) ADRB3ADRA1AADRB1
Hydrochloric Acid SCHEMBL7113305 0.83 ALOX15 (0.56) ALOX15ADRB3ADRA1AADRB1ALDH1A1

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
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
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 MTNR1A 109/4885MTNR1B 150/4885KDM4E 2447/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 MTNR1A 100/4885MTNR1B 55/4885KDM4E 4572/4885

“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.