SCHEMBL3175272

SCHEMBL3175272

COc1ccc(Oc2ccc(CCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.66
ADRB1 P08588 15/20 0.66
ADRB3 P13945 10/20 0.66
DRD2 P14416 2/20 0.58
DRD1 P21728 2/20 0.58
DRD4 P21917 2/20 0.58
DRD3 P35462 2/20 0.58
CHRM2 P08172 1/20 0.52

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
SCHEMBL3840091 0.90 ADRB2 (0.82) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3189983 0.90 ADRB2 (0.60) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3190008 0.90 ADRB2 (0.60) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3176536 0.90 ADRB2 (0.81) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3189995 0.90 ADRB2 (0.60) ADRB2ADRB1ADRB3CHRM2
SCHEMBL3195499 0.90 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3194339 0.89 ADRB2 (0.82) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3186154 0.88 ADRB2 (0.74) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3197801 0.87 ADRB2 (0.81) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL3191849 0.84 ADRB2 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662815-B2 Diaryl ether β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2010-02-16 US claimed
US-20080113981-A1 Treating pulmonary diseases, asthma, chronic obstructive pulmonary disease, chronic bronchitis, pre-term labor, neurological and cardiac disorders; improved duration of action, potency, selectivity; 8-hydroxy-5-((R)-1-hydroxy-2-{2-[4-(6-methoxybiphenyl-3-yloxy)phenyl]-ethylamino}ethyl)-1H-quinolin-2-one THERAVANCE BIOPHARMA R&D IP, LLC 2008-05-15 US claimed
US-7317023-B2 Diaryl ether β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-01-08 US claimed
US-20060019991-A1 Diaryl ether beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-01-26 US claimed
US-7662815-B2 Diaryl ether β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2010-02-16 US disclosed
US-20080113981-A1 Treating pulmonary diseases, asthma, chronic obstructive pulmonary disease, chronic bronchitis, pre-term labor, neurological and cardiac disorders; improved duration of action, potency, selectivity; 8-hydroxy-5-((R)-1-hydroxy-2-{2-[4-(6-methoxybiphenyl-3-yloxy)phenyl]-ethylamino}ethyl)-1H-quinolin-2-one THERAVANCE BIOPHARMA R&D IP, LLC 2008-05-15 US disclosed
US-7317023-B2 Diaryl ether β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20060019991-A1 Diaryl ether beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-01-26 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-20060019991-A1 Diaryl ether beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885ADRB3 5/4885
US-20080113981-A1 Treating pulmonary diseases, asthma, chronic obstructive pulmonary disease, chronic bronchitis, pre-term labor, neurological and cardiac disorders; improved duration of action, potency, selectivity; 8-hydroxy-5-((R)-1-hydroxy-2-{2-[4-(6-methoxybiphenyl-3-yloxy)phenyl]-ethylamino}ethyl)-1H-quinolin-2-one ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRB3 3/4885

“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.