SCHEMBL1800734

SCHEMBL1800734

COc1ccccc1CCNCCc1cccc(CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.55
BCHE P06276 5/20 0.54
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPY1R P25929 1/20 0.51
HTT P42858 1/20 0.51
NPY2R P49146 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ADRB2 P07550 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HTR2A P28223 3/20 0.47
SMPD1 P17405 1/20 0.47
HTR2C P28335 2/20 0.47

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
SCHEMBL1799366 0.90 KMT2A (0.58) MPOBCHEKMT2AHTR2ASMPD1
SCHEMBL7917106 0.84 BCHE (0.62) MPOBCHEKMT2ALMNAKDM4E
SCHEMBL21243265 0.82 MPO (0.70) MPOBCHEKMT2ASMN1; SMN2MTNR1A
SCHEMBL1801358 0.77 BCHE (0.53) BCHEKMT2AKDM4ESMN1; SMN2ADRB2
SCHEMBL3455690 0.77 BCHE (0.70) MPOBCHEKMT2ALMNAKDM4E
SCHEMBL29474956 0.77 TAAR1 (0.64) MPOLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL852646 0.77 TAAR1 (0.64) MPOLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL4859974 0.76 BCHE (0.77) MPOBCHEKMT2ALMNAKDM4E
SCHEMBL1778774 0.75 KMT2A (0.67) MPOBCHEKMT2ALMNAKDM4E
SCHEMBL8084265 0.74 HTR2A (0.66) BCHEKMT2ASMN1; SMN2HTR2A

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 MPO 889/4885BCHE 893/4885KMT2A 3348/4885

“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.