SCHEMBL4140366

SCHEMBL4140366

O=c1[nH]c2c(O)ccc([C@@H](O)CNCCC3CCN(CCOCCc4ccccc4)CC3)c2s1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.71
ADRB1 P08588 15/20 0.71
DRD2 P14416 6/20 0.71
ADRA1D P25100 2/20 0.59
DRD3 P35462 1/20 0.54

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
SCHEMBL3954768 0.93 ADRB2 (0.70) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL3958110 0.88 ADRB2 (0.70) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4135992 0.88 ADRB2 (0.70) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4134765 0.86 ADRB2 (0.66) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4129516 0.86 ADRB2 (0.66) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4138687 0.85 ADRB2 (0.72) ADRB2ADRB1DRD2ADRA1DDRD3
Hydrochloric Acid SCHEMBL4129280 0.85 ADRB2 (0.71) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4526989 0.84 ADRB2 (1.00) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4218708 0.83 ADRB2 (0.95) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL4127190 0.83 ADRB2 (0.55) ADRB2ADRB1DRD2ADRA1DDRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US claimed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD2 251/4885

“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.