SCHEMBL4616023

SCHEMBL4616023

Cc1ccc(C)n1-c1ccc([C@@H](O)CN[C@H](C)Cc2cccc(CC(=O)O)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.47
ADRB3 P13945 4/20 0.45
ADRB1 P08588 3/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4616030 1.00 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4614864 1.00 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4614869 1.00 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL5685693 0.92 ADRB2 (0.45) ADRB2ADRB3ADRB1
SCHEMBL5685687 0.92 ADRB2 (0.45) ADRB2ADRB3ADRB1
SCHEMBL4858775 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4858762 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4614013 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4614017 0.91 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4615842 0.90 ADRB1 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
US-7375100-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2008-05-20 US disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 EP disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
US-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-20 US disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO 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-20050014763-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ADRB2 176/4885ADRB3 371/4885ADRB1 250/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ADRB2 176/4885ADRB3 371/4885ADRB1 250/4885

“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.