SCHEMBL2010087

SCHEMBL2010087

CN[C@@H](CNc1ccc(CCNC[C@H](O[Si](C)(C)C(C)(C)C)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.47
ADRB1 P08588 13/20 0.43
ADRB3 P13945 10/20 0.43
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.36

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
SCHEMBL2010091 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2010089 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2011980 0.92 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL5968925 0.92 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2011984 0.92 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2010482 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2010487 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2011982 0.92 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2010485 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL17979457 0.87 ADRB2 (0.49) ADRB2ADRB1ADRB3DRD2DRD1

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 5 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
US-20050113411-A1 Amino-substituted ethylamino beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 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 (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.