SCHEMBL2006829

SCHEMBL2006829

NC(CNc1ccc(CCNC[C@H](O)c2ccc(O)c(NC=O)c2)cc1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.85
ADRB1 P08588 5/20 0.85
ADRB3 P13945 4/20 0.85

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
SCHEMBL2006825 1.00 ADRB2 (0.85) ADRB2ADRB1ADRB3
SCHEMBL2006826 1.00 ADRB2 (0.85) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL2006113 0.99 ADRB2 (0.84) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL2006112 0.99 ADRB2 (0.84) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL2006109 0.99 ADRB2 (0.84) ADRB2ADRB1ADRB3
Milveterol SCHEMBL185356 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3
Milveterol SCHEMBL265694 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3
Milveterol SCHEMBL29448200 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3
Milveterol SCHEMBL168972 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3
Milveterol SCHEMBL4385046 0.92 ADRB2 (1.00) ADRB2ADRB1ADRB3

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-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US claimed
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-04-30 US claimed
EP-1687257-B1 AMINO-SUBSTITUTED ETHYLAMINO BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-15 EP claimed
US-7399863-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-15 US claimed
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US claimed
US-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US disclosed
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-04-30 US disclosed
EP-1687257-B1 AMINO-SUBSTITUTED ETHYLAMINO BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-15 EP disclosed
US-7399863-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-15 US disclosed
EP-1687257-A2 AMINO-SUBSTITUTED ETHYLAMINO &Bgr;2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-08-09 EP disclosed
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
WO-2005030678-A2 AMINO-SUBSTITUTED ETHYLAMINO β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-04-07 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 (2 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-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 6/4885
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 6/4885

“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.