SCHEMBL4628320

SCHEMBL4628320

O=c1ccc2c([C@@H](O)CNCc3ccccc3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.55
ADRB1 P08588 10/20 0.55
DRD2 P14416 2/20 0.51
DRD1 P21728 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
ADRA1D P25100 1/20 0.49
CHRM3 P20309 2/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL17513858 1.00 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25906764 1.00 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17513854 0.92 ADRB2 (0.48) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25265416 0.90 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25196431 0.90 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993729 0.88 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25666078 0.87 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL21573583 0.86 ADRB2 (0.64) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795110 0.85 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1206182 0.85 ADRB2 (0.47) 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 12 patents. 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
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-3556435-B1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
CN-110087729-A One kind has the dual-function compound of quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2019-08-02 CN disclosed
US-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US disclosed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD2 329/4885
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD ADRB2 83/4885ADRB1 176/4885DRD2 1699/4885
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 ADRB2 3/4885ADRB1 4/4885DRD2 798/4885

“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.