SCHEMBL678588

SCHEMBL678588

CCC(NC(CO)c1cccc(Cl)c1)c1c[nH]c2c(OCC(=O)O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.56
ADRB1 P08588 8/20 0.56
ADRB2 P07550 6/20 0.56
PNP P00491 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 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
SCHEMBL7593268 0.90 ADRB3 (0.46) ADRB3ADRB1ADRB2CYP1A2CYP2C9
SCHEMBL7572345 0.83 ADRB3 (0.40) ADRB3ADRB1ADRB2PNP
SCHEMBL7779180 0.76 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL5536670 0.75 ADRB3 (0.48) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL7606623 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL3694097 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL678589 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL7865766 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL29361441 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A
Rafabegron SCHEMBL6910797 0.72 ADRB3 (1.00) ADRB3ADRB1ADRB2ADRA1DADRA1A

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 29 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
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO claimed
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-2382975-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-11-02 EP disclosed
EP-2377530-A2 Modulation of neurogenesis by PDE inhibition Braincells, Inc. (US) 2011-10-19 EP disclosed
EP-2377531-A2 Neurogenesis by modulating angiotensin Braincells, Inc. (US) 2011-10-19 EP disclosed
US-7998971-B2 2-(2-oxopyrrolidin- 1 -yl)-N-(2,3 -dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)acetoamide (MKC-231) and a second active ingredient for treating central or peripheral nervous system disorders increase neurogenesis; synergistic; drug addiction, psychological disorders, transplant rejection BRAINCELLS INC. (US) 2011-08-16 US disclosed
CN-1433403-A Solid pharmaceutical preparation DAINIPPON PHARMAECUTICAL CO LT (JP) 2003-07-30 CN disclosed
JP-2002356423-A ADHESIVE PREPARATION DAINIPPON PHARMACEUT CO LTD 2002-12-13 JP disclosed
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 disclosed
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 disclosed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
WO-2001040182-A3 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2002-06-27 WO 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

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-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.