SCHEMBL4523007

SCHEMBL4523007

CN(CCCSCCO)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.58
TMEM97 Q5BJF2 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
FDPS P14324 1/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL26985749 0.83 SIGMAR1 (0.70) SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL26985700 0.82 SIGMAR1 (0.73) SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL25047608 0.80 SIGMAR1 (0.66) SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL6807356 0.79 SIGMAR1 (0.63) SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL4726672 0.79 TDP1 (0.46) SLC6A3
SCHEMBL4520076 0.79 SIGMAR1 (0.55) SIGMAR1TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL7440692 0.78 SIGMAR1 (0.62) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL9180229 0.77 CYP1A2 (0.61) SLC6A2AOC3
Demelverine SCHEMBL1516521 0.77 SIGMAR1 (0.76) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6968328 0.76 SIGMAR1 (0.72) SIGMAR1SLC6A2SLC6A4SLC6A3FDPS

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 3 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
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C SIGMAR1 174/4885TMEM97 273/4885SLC6A2 173/4885

“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.