SCHEMBL776543

SCHEMBL776543

CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(N)cc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.45
DRD2 P14416 3/20 0.45
DRD1 P21728 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
ADRB1 P08588 11/20 0.44
ADRB3 P13945 6/20 0.44
CHRM2 P08172 1/20 0.41

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
SCHEMBL17979458 0.93 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL17979457 0.93 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL962871 0.92 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL13708455 0.92 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL776477 0.92 ADRB2 (0.49) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4901471 0.91 ADRB2 (0.45) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19713172 0.90 ADRB2 (0.36) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL22829253 0.90 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL19770228 0.90 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL1205680 0.89 ADRB2 (0.43) ADRB2DRD2DRD1DRD4DRD3

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-20120071654-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2012-03-22 US disclosed
US-7994165-B2 Aryl aniline derivatives as β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2011-08-09 US disclosed
EP-1706371-B1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2011-04-06 EP disclosed
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2010-04-08 US disclosed
US-7622467-B2 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; extended duration of action; potency, selectivity; asthma, chronic obstructive pulmonary disease, antiinflammatory, pre-term labor, neurological and cardiac disorders THERAVANCE, INC. (US) 2009-11-24 US disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US disclosed
US-7553971-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-06-30 US disclosed
US-7452995-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-11-18 US disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US disclosed
EP-1706371-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2006-10-04 EP disclosed
WO-2005070872-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-08-04 WO disclosed
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists THERAVANCE, INC. 2005-07-21 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 (4 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-20120071654-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885DRD2 127/4885DRD1 480/4885
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 ADRB2 1/4885DRD2 118/4885DRD1 354/4885
US-20050159448-A1 Aryl aniline derivatives as beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885DRD2 127/4885DRD1 480/4885
US-20100087410-A1 ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885DRD2 127/4885DRD1 480/4885

“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.