SCHEMBL4889059

SCHEMBL4889059

Cc1c(C(O)CNCCc2ccc(NCC(O)c3ccccc3)cc2)ccc(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.70
ADRB1 P08588 3/20 0.63
ADRB3 P13945 1/20 0.60
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL14505292 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL4872831 0.81 ADRB2 (0.54) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11692252 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3KDM4E
SCHEMBL11692156 0.79 ADRB1 (0.57) ADRB2ADRB1
SCHEMBL14030664 0.79 ADRB2 (0.84) ADRB2ADRB1ADRB3KDM4EGAA
SCHEMBL5006903 0.77 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4867689 0.77 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4867697 0.77 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4862750 0.77 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL4889035 0.77 ADRB2 (1.00) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7105701-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2006-09-12 US disclosed
US-20060183918-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-17 US disclosed
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP disclosed
US-20050261338-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20050209275-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-09-22 US disclosed
EP-1019075-B1 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2005-08-24 EP disclosed
US-20020055651-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2002-05-09 US disclosed
WO-2001042193-A1 β2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2001-06-14 WO disclosed
EP-1082289-A4 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-14 EP disclosed
EP-1082289-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS Advanced Medicine, Inc. (US) 2001-03-14 EP disclosed
EP-1019075-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-12-13 EP disclosed
WO-1999066944-A9 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE INC (US) 2000-07-27 WO disclosed
EP-1019075-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP disclosed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 (5 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-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20020055651-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20050209275-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885

“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.