SCHEMBL6905934

SCHEMBL6905934

CC(O)c1ccccc1NCCOc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.42
ADRB2 P07550 5/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 3/20 0.37
TLR4 O00206 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
KCNK2 O95069 1/20 0.37
ABCB11 O95342 1/20 0.37
APP P05067 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL6912027 1.00 KIF11 (0.42) KIF11ADRB2CTSVCTSLUTS2R
SCHEMBL6912324 1.00 KIF11 (0.42) KIF11ADRB2CTSVCTSLUTS2R
SCHEMBL7072940 0.90 KIF11 (0.35) KIF11ADRB2CTSVCTSLKDM4E
SCHEMBL7070546 0.86 KDM4E (0.50) KIF11KDM4EMAPTKMT2AGABRP
SCHEMBL7068696 0.84 ADRB2 (0.44) ADRB2UTS2RKDM4EDRD2TLR4
SCHEMBL7980653 0.83 MAPT (0.40) KDM4EHTTMAPTKMT2AADRA2A
SCHEMBL7980852 0.83 MAPT (0.40) KDM4EHTTMAPTKMT2AADRA2A
SCHEMBL7977148 0.83 MAPT (0.40) KDM4EHTTMAPTKMT2AADRA2A
SCHEMBL7778754 0.83 ADRB2 (0.43) ADRB2UTS2RKDM4EDRD2TLR4
SCHEMBL7070293 0.83 ADRB2 (0.43) ADRB2UTS2RKDM4EDRD2TLR4

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
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
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 KIF11 4828/4885ADRB2 14/4885CTSV 4729/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 KIF11 4521/4885ADRB2 2/4885CTSV 4151/4885
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 KIF11 3097/4885ADRB2 17/4885CTSV 3112/4885

“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.