SCHEMBL4615835

SCHEMBL4615835

Cc1ccc(C)n1-c1ccc([C@@H](O)CNC(C)Cc2ccc(CC(=O)O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.47
ADRB3 P13945 8/20 0.47
ADRB2 P07550 13/20 0.43
ADRA1A P35348 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.42
CASP6 P55212 1/20 0.42
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4615842 1.00 ADRB1 (0.47) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4616023 0.90 ADRB2 (0.47) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4614864 0.90 ADRB2 (0.47) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4616030 0.90 ADRB2 (0.47) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4614869 0.90 ADRB2 (0.47) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4616273 0.90 ADRB2 (0.45) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4616278 0.90 ADRB2 (0.45) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4613108 0.86 ADRB1 (0.51) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4613105 0.86 ADRB1 (0.51) ADRB1ADRB3ADRB2ADRA1ACYP2D6
SCHEMBL4615534 0.83 ADRB2 (0.43) ADRB1ADRB3ADRB2CASP3CASP6

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 ADRB1 250/4885ADRB3 371/4885ADRB2 176/4885

“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.