Rafabegron

Rafabegron

SCHEMBL678589

C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB3

The experimentally established mechanism targets of Rafabegron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 known ✓ P13945 20/20 1.00
ADRB1 P08588 12/20 1.00
ADRB2 P07550 9/20 1.00
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62

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
Rafabegron SCHEMBL7606623 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL3694097 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL29361441 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL7865766 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL6910797 1.00 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7865755 0.92 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL6906032 0.92 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7593273 0.89 ADRB3 (0.80) ADRB3ADRB1ADRB2
SCHEMBL6911229 0.89 ADRB3 (1.00) ADRB3ADRB1ADRB2
SCHEMBL7870408 0.89 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458824-B1 (3-((2R)-(((2R)-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)PROPYL)-1H-INDOL-7-YLOXY)ACETIC ACID CRYSTAL SOLIDS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-10-01 US claimed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP claimed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP claimed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO claimed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO claimed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
CN-107638569-A Strengthen the methods and applications of brown fat cell heat production efficiency 上海聿健生物科技有限公司 2018-01-30 CN disclosed
US-9238025-B2 Transdermal preparation comprising a ropinirole derivative HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2016-01-19 US disclosed
EP-2438917-B1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-20120052113-A1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-03-01 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001040182-A3 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2002-06-27 WO disclosed
EP-1212090-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN INSULIN SENSITIZER Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed
WO-2001017513-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN INSULIN SENSITIZER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-15 WO 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-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 ADRB3 65/4885ADRB1 47/4885ADRB2 142/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ADRB3 293/4885ADRB1 386/4885ADRB2 542/4885
US-20120052113-A1 TRANSDERMAL PREPARATION HTR3D, HTR5A, HTR1E ADRB3 326/4885ADRB1 303/4885ADRB2 331/4885

“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.