SCHEMBL6911229

SCHEMBL6911229

CCOc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 1.00
ADRB1 P08588 10/20 0.82
ADRB2 P07550 8/20 0.82

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
SCHEMBL7870408 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6906026 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7859235 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL678589 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL29361441 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL7865766 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL6910797 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL7606623 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL3694097 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7593273 0.89 ADRB3 (0.80) ADRB3ADRB1ADRB2

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-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 EP claimed
EP-0801059-A1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-10-15 EP claimed
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance KADOWAKI TAKASHI (JP) 2004-12-02 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
EP-1212090-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN INSULIN SENSITIZER Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed
EP-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
EP-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 EP disclosed
WO-2001017513-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN INSULIN SENSITIZER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-15 WO 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
EP-0801059-A1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-10-15 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-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 ADRB3 3/4885ADRB1 1/4885ADRB2 2/4885
US-20040242485-A1 Compositions and methods for the amelioration of leptin resistance ADIPOR1, FABP4, ADIPOR2 ADRB3 6/4885ADRB1 11/4885ADRB2 17/4885

“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.