SCHEMBL4519955

SCHEMBL4519955

OCCCSCCNCCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
DRD2 P14416 4/20 0.47
TAAR1 Q96RJ0 2/20 0.46
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CNR1 P21554 1/20 0.42
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAAT3 P53816 1/20 0.39

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
SCHEMBL4517657 0.89 ADRB2 (0.48) CHRM2ADRB2ADRB1DRD2TAAR1
SCHEMBL5081900 0.88 CHRM2 (0.53) CHRM2ADRB2ADRB1DRD2TAAR1
SCHEMBL10834316 0.79 TAAR1 (0.69) CHRM2TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL7242777 0.76 TAAR1 (0.60) CHRM2TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL13509275 0.75 CHRM2 (0.51) CHRM2ADRB2ADRB1DRD2TAAR1
SCHEMBL10880242 0.74 CHRM2 (0.58) CHRM2TAAR1CYP3A4CYP2D6CYP2C19
SCHEMBL4520625 0.74 CHRM2 (0.51) CHRM2ADRB2ADRB1DRD2TAAR1
SCHEMBL13711755 0.74 TAAR1 (0.51) TAAR1CYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL20915953 0.73 L3MBTL1 (0.52) CHRM2ADRB2ADRB1DRD2TAAR1
SCHEMBL1044928 0.73 TAAR1 (0.56) CHRM2TAAR1CYP3A4CYP2D6CYP2C19

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-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-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 CHRM2 100/4885ADRB2 1/4885ADRB1 2/4885

“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.