SCHEMBL2009305

SCHEMBL2009305

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.44
ADRB1 P08588 5/20 0.44
ADRB3 P13945 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 2/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2009306 1.00 ADRB2 (0.44) ADRB2ADRB1ADRB3SMN1; SMN2MEN1
SCHEMBL2009303 1.00 ADRB2 (0.44) ADRB2ADRB1ADRB3SMN1; SMN2MEN1
SCHEMBL2012556 0.91 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL2012558 0.91 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL2012553 0.91 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL774598 0.85 ADRB2 (0.57) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2006706 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3
SCHEMBL2006704 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3
SCHEMBL2006701 0.84 ADRB2 (0.64) ADRB2ADRB1ADRB3
SCHEMBL2795663 0.82 ADRB2 (0.45) ADRB2ADRB1ADRB3MEN1GAA

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 7 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-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.