SCHEMBL4616273

SCHEMBL4616273

COC(=O)Cc1ccc(CC(C)NC[C@H](O)c2ccc(-n3c(C)ccc3C)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.45
ADRB1 P08588 10/20 0.45
ADRB3 P13945 9/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP2D6 P10635 3/20 0.40
ADRA1A P35348 3/20 0.40
TSHR P16473 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
MC4R P32245 1/20 0.40
OPRM1 P35372 1/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL4616278 1.00 ADRB2 (0.45) ADRB2ADRB1ADRB3GLACYP3A4
SCHEMBL4858775 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3GLACYP2D6
SCHEMBL4858762 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3GLACYP2D6
SCHEMBL4614017 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3GLACYP2D6
SCHEMBL4614013 0.91 ADRB2 (0.44) ADRB2ADRB1ADRB3GLACYP2D6
SCHEMBL4615842 0.90 ADRB1 (0.47) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL4615835 0.90 ADRB1 (0.47) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL4615538 0.85 ADRB2 (0.43) ADRB2ADRB1ADRB3GLA
SCHEMBL4615534 0.85 ADRB2 (0.43) ADRB2ADRB1ADRB3GLA
SCHEMBL4613108 0.82 ADRB1 (0.51) ADRB2ADRB1ADRB3CYP2D6ADRA1A

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 6 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
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.