SCHEMBL4517657

SCHEMBL4517657

OCCCSCCNCCc1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.48
ADRB1 P08588 5/20 0.48
DRD2 P14416 5/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
GLA P06280 1/20 0.47
CYP2C9 P11712 1/20 0.47
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
CHRM2 P08172 1/20 0.40
PNMT P11086 1/20 0.38
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
IDO1 P14902 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4519955 0.89 CHRM2 (0.49) ADRB2ADRB1DRD2CYP1A2CYP3A4
SCHEMBL5081900 0.77 CHRM2 (0.53) ADRB2ADRB1DRD2CYP1A2CYP3A4
SCHEMBL4520625 0.75 CHRM2 (0.51) ADRB2ADRB1DRD2CYP1A2CYP3A4
SCHEMBL4590140 0.75 TAAR1 (0.41) ADRB2ADRB1DRD2CYP1A2CYP3A4
SCHEMBL79190 0.75 TAAR1 (0.59) DRD2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4519480 0.73 PTPRC (0.38) ADRB2ADRB1DRD2TSHRTAAR1
SCHEMBL29924786 0.71 TAAR1 (0.63) DRD2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2963562 0.71 TAAR1 (0.63) DRD2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3239919 0.71 CYP3A4 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19GLA
SCHEMBL29168201 0.71 CYP1A2 (0.54) DRD2CYP1A2CYP3A4CYP2D6CYP2C19

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 ADRB2 1/4885ADRB1 2/4885DRD2 224/4885

“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.