SCHEMBL4255084

SCHEMBL4255084

CC(Cc1cccc(C[C@@H](C)NC[C@H](O)c2ccc(OCc3ccccc3)c(CO)c2)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.57
ADRB3 P13945 6/20 0.53
ADRB1 P08588 3/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4261685 0.89 ADRB2 (0.56) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4261688 0.89 ADRB2 (0.56) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4255083 0.88 ADRB2 (0.54) ADRB2ADRB3ADRB1CYP2D6
SCHEMBL4389556 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4389552 0.87 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4261367 0.86 ADRB2 (0.53) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL10662416 0.85 ADRB2 (0.52) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL10662496 0.85 ADRB2 (0.52) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL4256480 0.84 ADRB2 (0.74) ADRB2
SCHEMBL4256670 0.84 ADRB2 (0.41) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP claimed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP claimed
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP disclosed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO disclosed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US 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-20040229904-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B1, CYP11B2 ADRB2 901/4885ADRB3 802/4885ADRB1 649/4885

“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.