SCHEMBL4523925

SCHEMBL4523925

C=CCN(CCc1ccc(OCC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ADRB3 P13945 1/20 0.38
THRB P10828 2/20 0.38
ACACB O00763 2/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
KCNH2 Q12809 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL4524284 0.88 L3MBTL1 (0.37) MAPTSMN1; SMN2THRB
SCHEMBL7825818 0.86 LTB4R (0.51) MAPTLMNALTB4RLTB4R2POLB
SCHEMBL1718309 0.84 ADRB3 (0.41) MAPTALDH1A1SMN1; SMN2KDM4EADRB3
SCHEMBL4521331 0.84 L3MBTL1 (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4521290 0.84 MAPT (0.56) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL7835952 0.76 LTB4R (0.52) LTB4RLTB4R2EPHX2
SCHEMBL13708414 0.76 LMNA (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31679551 0.75 OPRM1 (0.40) POLB
SCHEMBL4519565 0.75 TAAR1 (0.45) ALDH1A1KDM4E
SCHEMBL1719901 0.75 OPRM1 (0.40) POLB

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 MAPT 2437/4885ALDH1A1 243/4885SMN1; SMN2 3368/4885

“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.