SCHEMBL1799366

SCHEMBL1799366

COc1ccccc1CNCCc1cccc(CCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
MPO P05164 1/20 0.57
BCHE P06276 6/20 0.56
HTR2A P28223 3/20 0.55
HTR2C P28335 2/20 0.55
HRH1 P35367 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
HTR2B P41595 1/20 0.55
HTR6 P50406 1/20 0.55
SMPD1 P17405 1/20 0.55
CHRM2 P08172 7/20 0.55
GRIN1 Q05586 4/20 0.55
GRIN2A Q12879 4/20 0.55
ACHE P22303 3/20 0.55
TP53 P04637 1/20 0.55
CHRM4 P08173 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM5 P08912 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL1800734 0.90 MPO (0.55) KMT2AMPOBCHEHTR2AHTR2C
SCHEMBL3130483 0.81 CHRM2 (0.70) KMT2AMPOBCHECHRM2GRIN1
SCHEMBL20970948 0.79 KDM4E (0.65) KMT2ABCHEHTR2AHTR2CHRH1
SCHEMBL29633118 0.79 KDM4E (0.65) KMT2ABCHEHTR2AHTR2CHRH1
SCHEMBL4255410 0.78 CHRM2 (0.76) KMT2ABCHECHRM2GRIN1GRIN2A
SCHEMBL31079588 0.78 HTR2A (0.65) KMT2ABCHEHTR2AHTR2CHRH1
SCHEMBL11711401 0.78 BCHE (0.66) KMT2AMPOBCHEHTR2AHTR2C
SCHEMBL30166692 0.78 BCHE (0.66) KMT2AMPOBCHEHTR2AHTR2C
SCHEMBL4918396 0.77 CHRM2 (0.79) KMT2ABCHECHRM2GRIN1GRIN2A
SCHEMBL3455690 0.76 BCHE (0.70) KMT2AMPOBCHEHTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 KMT2A 3348/4885MPO 889/4885BCHE 893/4885

“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.