SCHEMBL2012556

SCHEMBL2012556

CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(NC[C@H](O)c2ccccc2)cc1)c1ccc(OCc2ccccc2)c(NC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.56
ADRB3 P13945 6/20 0.56
ADRB1 P08588 5/20 0.56

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
SCHEMBL2012558 1.00 ADRB2 (0.56) ADRB2ADRB3ADRB1
SCHEMBL2012553 1.00 ADRB2 (0.56) ADRB2ADRB3ADRB1
SCHEMBL2009303 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1
SCHEMBL2009306 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1
SCHEMBL2009305 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1
SCHEMBL2951423 0.87 ADRB2 (0.73) ADRB2ADRB3ADRB1
SCHEMBL2951421 0.87 ADRB2 (0.73) ADRB2ADRB3ADRB1
SCHEMBL2951419 0.87 ADRB2 (0.73) ADRB2ADRB3ADRB1
Hydrochloric Acid SCHEMBL2964130 0.86 ADRB2 (0.72) ADRB2ADRB3ADRB1
Hydrochloric Acid SCHEMBL2964133 0.86 ADRB2 (0.72) ADRB2ADRB3ADRB1

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-7964730-B2 Amino-substituted ethylamino β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-06-21 US disclosed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 US disclosed
US-7846973-B2 Chemical process and new crystalline form THERAVANCE, INC. (US) 2010-12-07 US disclosed
US-7772434-B2 Crystalline form of a β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-7772434-B2 Crystalline form of a β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2010-08-10 US disclosed
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20100063157-A1 CHEMICAL PROCESS AND NEW CRYSTALLINE FORM THERAVANCE BIOPHARMA R&D IP, LLC 2010-03-11 US disclosed
US-20100063157-A1 CHEMICAL PROCESS AND NEW CRYSTALLINE FORM THERAVANCE BIOPHARMA R&D IP, LLC 2010-03-11 US disclosed
US-7557247-B2 Crystalline form of β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-7557247-B2 Crystalline form of β2 adrenergic receptor agonist THERAVANCE, INC. (US) 2009-07-07 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
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2007-07-05 US disclosed
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2007-07-05 US disclosed
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
US-20050075271-A1 Crystalline beta2 adrenergic receptor agonist THERAVANCE, INC. 2005-04-07 US disclosed
US-20040248985-A1 Crystalline form of beta2 adrenergic receptor agonist THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-09 US 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-20100063157-A1 CHEMICAL PROCESS AND NEW CRYSTALLINE FORM ADRA2C, ADRB2, AGTR2 ADRB2 2/4885ADRB3 8/4885ADRB1 6/4885
US-20090111850-A1 Amino-Substituted Ethylamino Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB3 6/4885ADRB1 2/4885
US-20040248985-A1 Crystalline form of beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB3 6/4885ADRB1 4/4885
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB3 6/4885ADRB1 2/4885
US-20100125150-A1 CRYSTALLINE FORM OF A BETA2 ADRENERGIC RECEPTOR AGONIST ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB3 7/4885ADRB1 4/4885
US-20070155990-A1 Crystalline form of beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB3 6/4885ADRB1 4/4885
US-20050075271-A1 Crystalline beta2 adrenergic receptor agonist ADRB2, ADRA2C, ADRA2A ADRB2 1/4885ADRB3 7/4885ADRB1 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.