SCHEMBL4256632

SCHEMBL4256632

C[C@H](Cc1ccc(CC(=O)NCc2cccc(Cl)c2)cc1)NC[C@@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.79
▸ ADRB3 P13945 7/20 0.59
▸ ADRB1 P08588 6/20 0.59
▸ SLC2A1 P11166 2/20 0.55
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL4256628 1.00 ADRB2 (0.79) ADRB2ADRB3ADRB1SLC2A1ADRA1D
SCHEMBL4259139 0.91 ADRB2 (0.74) ADRB2ADRB3ADRB1
SCHEMBL4259147 0.91 ADRB2 (0.74) ADRB2ADRB3ADRB1
SCHEMBL4255179 0.90 ADRB2 (0.88) ADRB2
SCHEMBL4255178 0.90 ADRB2 (0.88) ADRB2
SCHEMBL4256500 0.90 ADRB2 (0.83) ADRB2ADRB3ADRB1
SCHEMBL4256506 0.90 ADRB2 (0.83) ADRB2ADRB3ADRB1
SCHEMBL4260847 0.90 ADRB2 (0.86) ADRB2ADRB3ADRB1
SCHEMBL4260851 0.90 ADRB2 (0.86) ADRB2ADRB3ADRB1
SCHEMBL4260245 0.88 ADRB2 (1.00) ADRB2

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 9 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
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 — — US claimed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 — — US claimed
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 — — 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-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 — — 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-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.

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