SCHEMBL4389552

SCHEMBL4389552

COC(=O)c1cccc(C[C@@H](C)NC[C@H](O)c2ccc(OCc3ccccc3)c(CO)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.54
ADRB3 P13945 5/20 0.51
ADRB1 P08588 3/20 0.49
CASP3 P42574 1/20 0.48
CASP6 P55212 1/20 0.48
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4389556 1.00 ADRB2 (0.54) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL10662496 0.93 ADRB2 (0.52) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL10662416 0.93 ADRB2 (0.52) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL4255084 0.87 ADRB2 (0.57) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4255083 0.86 ADRB2 (0.54) ADRB2ADRB3ADRB1CYP2D6
SCHEMBL4261688 0.86 ADRB2 (0.56) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL4261685 0.86 ADRB2 (0.56) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL10661675 0.85 ADRB2 (0.66) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL4386778 0.85 ADRB2 (0.66) ADRB2ADRB3ADRB1CASP3CASP6
SCHEMBL4386774 0.85 ADRB2 (0.66) ADRB2ADRB3ADRB1CASP3CASP6

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
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885ADRB3 661/4885ADRB1 711/4885

“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.