SCHEMBL2567993

SCHEMBL2567993

CN(CCOCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)Cc1cccc(S(=O)(=O)C2CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.53
ADRB1 P08588 17/20 0.53
ADRB3 P13945 4/20 0.53
CYP3A4 P08684 2/20 0.53
HTR1A P08908 2/20 0.53
CYP2D6 P10635 2/20 0.53
HTR1B P28222 2/20 0.53
CHRM3 P20309 1/20 0.48
DRD2 P14416 1/20 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
SCHEMBL2578536 0.90 ADRB2 (0.46) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL2578535 0.90 ADRB2 (0.46) ADRB2ADRB1ADRB3CYP3A4HTR1A
Acetic Acid SCHEMBL4824545 0.89 ADRB2 (0.67) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL2560219 0.87 ADRB2 (0.53) ADRB2ADRB1CHRM3DRD2
SCHEMBL2560223 0.87 ADRB2 (0.53) ADRB2ADRB1CHRM3DRD2
SCHEMBL2563756 0.85 ADRB2 (0.50) ADRB2ADRB1CHRM3DRD2
SCHEMBL2564506 0.84 ADRB2 (0.54) ADRB2ADRB1CHRM3DRD2
SCHEMBL2578225 0.82 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL2563823 0.82 ADRB2 (0.56) ADRB2ADRB1ADRB3DRD2
SCHEMBL2563829 0.82 ADRB2 (0.56) ADRB2ADRB1ADRB3DRD2

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
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP claimed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US claimed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 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 (1 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 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.