SCHEMBL4534814

SCHEMBL4534814

O=c1cc(OCc2ccccc2)ccn1-c1ccc2cc(OCCN3CCCC3)ccc2c1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.86
KCNH2 Q12809 11/20 0.86
HRH3 Q9Y5N1 1/20 0.69
CYP3A4 P08684 1/20 0.68
LTA4H P09960 1/20 0.62
HTT P42858 1/20 0.60

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
SCHEMBL1753860 0.92 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4HHTT
SCHEMBL1753676 0.91 MCHR1 (1.00) MCHR1KCNH2HRH3LTA4HHTT
SCHEMBL4539171 0.89 MCHR1 (0.71) MCHR1KCNH2HRH3CYP3A4LTA4H
SCHEMBL2890154 0.86 MCHR1 (1.00) MCHR1KCNH2HRH3CYP3A4LTA4H
SCHEMBL2890233 0.86 MCHR1 (0.90) MCHR1KCNH2HRH3
SCHEMBL2892676 0.86 MCHR1 (0.76) MCHR1KCNH2HRH3CYP3A4LTA4H
SCHEMBL2895384 0.85 MCHR1 (0.76) MCHR1KCNH2HRH3CYP3A4LTA4H
SCHEMBL2893062 0.85 MCHR1 (0.76) MCHR1KCNH2HRH3CYP3A4LTA4H
SCHEMBL4537437 0.84 MCHR1 (0.64) MCHR1KCNH2HRH3CYP3A4
SCHEMBL2893539 0.84 MCHR1 (0.78) MCHR1KCNH2HRH3CYP3A4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US claimed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP claimed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MCHR1 357/4885KCNH2 975/4885HRH3 137/4885

“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.