SCHEMBL4613370

SCHEMBL4613370

Cc1ccc(C)n1-c1ccc([C@H](O)CNC(C)Cc2cccc(CC(=O)NCc3ccc(C(=O)O)cc3)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.56
ADRB1 P08588 6/20 0.47
ADRB3 P13945 6/20 0.47
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
CHRM3 P20309 1/20 0.39

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
SCHEMBL4614323 1.00 ADRB2 (0.56) ADRB2ADRB1ADRB3CASP3CASP6
SCHEMBL4614316 1.00 ADRB2 (0.56) ADRB2ADRB1ADRB3CASP3CASP6
SCHEMBL4613366 1.00 ADRB2 (0.56) ADRB2ADRB1ADRB3CASP3CASP6
SCHEMBL4857137 0.94 ADRB2 (0.62) ADRB2ADRB1ADRB3CHRM3
SCHEMBL4857134 0.94 ADRB2 (0.62) ADRB2ADRB1ADRB3CHRM3
SCHEMBL4616405 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM3
SCHEMBL5682922 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM3
SCHEMBL4616404 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM3
SCHEMBL5682914 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM3
SCHEMBL5681758 0.93 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 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
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 US 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 (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-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 ADRB2 176/4885ADRB1 250/4885ADRB3 371/4885

“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.