SCHEMBL3834730

SCHEMBL3834730

CCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1CC

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.78
ADRB1 P08588 18/20 0.78
DRD3 P35462 6/20 0.78
DRD2 P14416 9/20 0.68
ADRA1D P25100 9/20 0.68

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
SCHEMBL3835437 0.88 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL3838493 0.87 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL3834534 0.87 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL3834258 0.85 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL3834399 0.84 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL13672474 0.84 ADRB2 (0.81) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619839 0.84 ADRB2 (0.81) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619837 0.83 ADRB2 (0.80) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL14423748 0.82 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL14423678 0.82 ADRB2 (0.82) 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
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP claimed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD3 623/4885

“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.