SCHEMBL99134

SCHEMBL99134

O=c1ccc2c([C@@H](O)CBr)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.46
ADRB1 P08588 12/20 0.46
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL30490482 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2568651 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1206182 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795110 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993729 0.89 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666134 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666155 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18946383 0.88 ADRB2 (0.48) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1973360 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993739 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4

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 226 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
WO-2022172292-A1 A PROCESS FOR PREPARING ABEDITEROL AND INTERMEDIATES THEREOF GBR LABORATORIES PRIVATE LIMITED (IN) 2022-08-18 WO disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3138837-B1 INDACATEROL FREE BASE IN SOLID FORM CRYSTAL PHARMA SAU (ES) 2021-11-24 EP disclosed
EP-3138837-B1 INDACATEROL FREE BASE IN SOLID FORM CRYSTAL PHARMA SAU (ES) 2021-11-24 EP disclosed
CN-113544121-A Heterocyclic derivative with beta 2 receptor agonistic and M receptor antagonistic activities and medical application thereof 中国医药研究开发中心有限公司 2021-10-22 CN disclosed
EP-3848354-A1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF Crystal Pharma, S.A.U. (ES) 2021-07-14 EP disclosed
EP-3848354-A1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF Crystal Pharma, S.A.U. (ES) 2021-07-14 EP disclosed
US-20050182092-A1 Crystalline form of a biphenyl compound THERAVANCE, INC. (US) 2005-08-18 US disclosed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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 (6 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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 ADRB2 3/4885ADRB1 4/4885DRD2 798/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B ADRB2 2/4885ADRB1 1/4885DRD2 227/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B ADRB2 2/4885ADRB1 1/4885DRD2 116/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885ADRB1 1/4885DRD2 156/4885
US-20050182092-A1 Crystalline form of a biphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC10A1, REN ADRB2 1410/4885ADRB1 1338/4885DRD2 3170/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR ADRB2 2/4885ADRB1 7/4885DRD2 400/4885

“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.