SCHEMBL2004900

SCHEMBL2004900

O=c1ccc2c(C(O)CNCCCCCCOCC(F)(F)c3ccccc3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.77
ADRB1 P08588 14/20 0.77
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
CHRM3 P20309 2/20 0.46

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
SCHEMBL244647 1.00 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2758562 0.90 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL3299628 0.90 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
Abediterol SCHEMBL29350050 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL4890724 0.87 ADRB2 (0.61) ADRB2ADRB1DRD2DRD1DRD4
Abediterol SCHEMBL243662 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
Abediterol SCHEMBL241483 0.87 ADRB2 (1.00) ADRB2ADRB1CHRM3
SCHEMBL508917 0.87 ADRB2 (0.76) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL242081 0.86 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2007626 0.86 ADRB2 (0.57) ADRB2ADRB1DRD2DRD1DRD4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420669-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the BETA2 adrenergic receptor LABORATORIES ALMIRALL, S.A. (ES) 2013-04-16 US disclosed
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US disclosed
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-05-10 US disclosed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US disclosed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP disclosed
US-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR PUIG DURAN CARLOS 2011-10-13 US disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 US disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 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 (5 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-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 89/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 ADRB2 1/4885ADRB1 4/4885DRD2 88/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD2 72/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 209/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 211/4885

“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.