SCHEMBL144536

SCHEMBL144536

O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
ADRB1 P08588 20/20 1.00
ADRB3 P13945 20/20 1.00
CYP3A4 P08684 2/20 1.00
HTR1A P08908 2/20 1.00
CYP2D6 P10635 2/20 1.00
HTR1B P28222 2/20 1.00

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
SCHEMBL4627326 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL29798973 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL118150 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4628832 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4628249 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4627368 0.96 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4628840 0.96 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4629325 0.95 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4628865 0.95 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4629383 0.94 ADRB2 (0.89) ADRB2ADRB1ADRB3CYP3A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093866-A1 Pharmaceutical Formulations MONTEITH MICHAEL JOHN 2010-04-15 US claimed
US-20090123391-A1 Novel Formulations 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-14 US claimed
US-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US claimed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP claimed
US-20060239932-A1 Pharmaceutical formulations comprising magnesium stearate GLAXO GROUP LIMITED (GB) 2006-10-26 US claimed
US-20060233716-A1 Pharmaceutical formulations GLAXO GROUP LIMITED (GB) 2006-10-19 US claimed
US-20060210485-A1 Pharmaceutical formulations GLAXO GROUP LIMITED (GB) 2006-09-21 US claimed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 US claimed
EP-1646370-A1 PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 2006-04-19 EP claimed
EP-1643973-A1 PHARMACEUTICAL FORMULATIONS COMPRISING MAGNESIUM STEARATE GLAXO GROUP LIMITED (GB) 2006-04-12 EP claimed
EP-1643974-A1 INHALABLE PHARMACEUTICAL FORMULATIONS COMPRISING A SUGAR ESTER GLAXO GROUP LIMITED (GB) 2006-04-12 EP claimed
WO-2006008173-A2 PHARMACEUTICAL FORMULATIONS FOR INHALATION GLAXO GROUP LIMITED (GB) 2006-01-26 WO claimed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP claimed
WO-2005004846-A1 PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 2005-01-20 WO claimed
WO-2005004852-A1 PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (GB) 2005-01-20 WO claimed
WO-2005004845-A1 PHARMACEUTICAL FORMULATIONS COMPRISING MAGNESIUM STEARATE GLAXO GROUP LIMITED (GB) 2005-01-20 WO claimed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO claimed
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-17 US disclosed
WO-2005005451-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 WO 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 (7 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-20090123391-A1 Novel Formulations PFN1, CCL11, MFAP1 ADRB2 61/4885ADRB1 79/4885ADRB3 25/4885
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD ADRB2 83/4885ADRB1 176/4885ADRB3 155/4885
US-20060239932-A1 Pharmaceutical formulations comprising magnesium stearate SLCO2A1, SLCO1B1, SLCO2B1 ADRB2 3370/4885ADRB1 2804/4885ADRB3 2042/4885
US-20060210485-A1 Pharmaceutical formulations SLCO2A1, SI, SLCO2B1 ADRB2 2390/4885ADRB1 1809/4885ADRB3 1156/4885
US-20100093866-A1 Pharmaceutical Formulations SUCNR1, SI, SLC5A6 ADRB2 3964/4885ADRB1 3962/4885ADRB3 3623/4885
US-11555040-B2 Oxepinopyrazole derivatives as inhibitors of P13-kinase activity CDK3, CDK13, AKT3 ADRB2 2326/4885ADRB1 2244/4885ADRB3 668/4885
US-20060233716-A1 Pharmaceutical formulations SLCO2A1, SLCO1B3, SLCO1B1 ADRB2 3286/4885ADRB1 2499/4885ADRB3 1143/4885

“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.