SCHEMBL5482124

SCHEMBL5482124

C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.76
ADRB1 P08588 11/20 0.76
ADRB2 P07550 11/20 0.76

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
SCHEMBL5482118 1.00 ADRB3 (0.76) ADRB3ADRB1ADRB2
SCHEMBL5483306 0.88 ADRB3 (0.65) ADRB3ADRB1ADRB2
SCHEMBL5483300 0.88 ADRB3 (0.65) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL29361441 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL7865766 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL7606623 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL3694097 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL678589 0.86 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6914240 0.86 ADRB3 (0.62) ADRB3ADRB1ADRB2
Rafabegron SCHEMBL6910797 0.86 ADRB3 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 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 (1 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 ADRB3 1/4885ADRB1 4/4885ADRB2 3/4885

“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.