SCHEMBL4135458

SCHEMBL4135458

O=c1[nH]c2c(OCc3ccccc3)ccc([C@@H](O)CBr)c2s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.48
ADRB1 P08588 19/20 0.48
DRD3 P35462 2/20 0.46
DRD2 P14416 6/20 0.45
ADRA1D P25100 3/20 0.45

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
SCHEMBL6430534 1.00 ADRB2 (0.48) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4230593 0.90 ADRB2 (0.49) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL4129700 0.89 ADRB2 (0.48) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL13743111 0.83 ADRB2 (0.44) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL2568651 0.78 ADRB2 (0.46) ADRB2ADRB1DRD3DRD2
SCHEMBL30490482 0.78 ADRB2 (0.46) ADRB2ADRB1DRD3DRD2
SCHEMBL99134 0.78 ADRB2 (0.46) ADRB2ADRB1DRD3DRD2
SCHEMBL5120836 0.78 FOLH1 (0.41) ADRB2ADRB1DRD3
SCHEMBL4516416 0.77 ADRB2 (0.78) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL5115576 0.77 ADRB2 (0.47) ADRB2ADRB1DRD3DRD2ADRA1D

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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-08-13 US disclosed
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 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 (4 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD3 542/4885
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 422/4885
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD3 418/4885
US-20090203753-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA1D ADRB2 1/4885ADRB1 2/4885DRD3 62/4885

“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.