SCHEMBL5386480

SCHEMBL5386480

O=c1[nH]c2c(O)ccc(CCNCCOCCCOCCc3ccccc3)c2s1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.80
ADRB1 P08588 4/20 0.80
DRD2 P14416 3/20 0.80
ABCB11 O95342 2/20 0.80
PDE4A P27815 1/20 0.80

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
Hydrochloric Acid SCHEMBL5380522 0.99 ADRB2 (0.78) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8527857 0.96 ADRB2 (0.78) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL8528391 0.95 ADRB2 (0.76) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL8529299 0.94 ABCB11 (0.83) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7837102 0.94 ABCB11 (0.83) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL8533675 0.93 ABCB11 (0.81) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7836415 0.93 ABCB11 (0.81) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7828832 0.93 ABCB11 (0.81) ADRB2ADRB1DRD2ABCB11PDE4A
Hydrochloric Acid SCHEMBL7838099 0.93 ABCB11 (0.81) ADRB2ADRB1DRD2ABCB11PDE4A
SCHEMBL7840400 0.93 ABCB11 (0.81) ADRB2ADRB1DRD2ABCB11PDE4A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US claimed
EP-1345591-B1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2005-03-02 EP claimed
US-20040082520-A1 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2004-04-29 US claimed
EP-1345591-A1 PHARMACEUTICAL AEROSOL FORMULATION AstraZeneca AB (SE) 2003-09-24 EP claimed
WO-2002049616-A1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2002-06-27 WO claimed
EP-0649418-B1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES ASTRA PHARMA PROD (GB) 1998-10-28 EP claimed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US claimed
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP claimed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO claimed
US-7163672-B2 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
EP-1517706-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA Pharma AG (DE) 2005-03-30 EP disclosed
EP-1345591-B1 PHARMACEUTICAL AEROSOL FORMULATION ASTRAZENECA AB (SE) 2005-03-02 EP disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
US-20040082520-A1 Pharmaceutical aerosol formulation ASTRAZENECA AB (SE) 2004-04-29 US disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
WO-2003094968-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA PHARMA AG (DE) 2003-11-20 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 (1 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-20040082520-A1 Pharmaceutical aerosol formulation ALG1, ALG8, DDOST ADRB2 64/4885ADRB1 65/4885DRD2 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.