SCHEMBL4517622

SCHEMBL4517622

C=CCN(CC(C)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.45
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
TRPA1 O75762 2/20 0.38

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
SCHEMBL4519926 0.82 MAPT (0.41) AOC3CYP2C19BRD4SMN1; SMN2ALDH1A1
SCHEMBL4519925 0.82 MAPT (0.41) AOC3CYP2C19BRD4SMN1; SMN2ALDH1A1
SCHEMBL4532673 0.82 MAPT (0.41) AOC3CYP2C19BRD4SMN1; SMN2ALDH1A1
SCHEMBL28986115 0.75 GAA (0.46) AOC3ALDH1A1POLBLMNAHPGD
SCHEMBL12512778 0.75 SMN1; SMN2 (0.40) CYP2C19OPRM1OPRD1OPRK1KDM4E
SCHEMBL7856507 0.74 ALDH1A1 (0.41) OPRM1OPRD1OPRK1KDM4ESMN1; SMN2
SCHEMBL9422226 0.74 ALOX5 (0.45) CYP2C19KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9300581 0.73 ALDH1A1 (0.39) OPRM1OPRD1OPRK1KDM4ESMN1; SMN2
SCHEMBL9684822 0.73 AOC3 (0.53) AOC3KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2531923 0.73 GAA (0.53) KDM4ESMN1; SMN2ALDH1A1CYP1A2MEN1

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 AOC3 900/4885CYP2C19 540/4885OPRM1 58/4885

“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.