SCHEMBL4537335

SCHEMBL4537335

O=c1cc(OCc2ccccc2)ccn1-c1ccc2cn(CCN3CCCC3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.66
KCNH2 Q12809 11/20 0.66
CYP3A4 P08684 2/20 0.66
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL4534814 0.81 MCHR1 (0.86) MCHR1KCNH2CYP3A4HRH3
SCHEMBL4541246 0.80 MCHR1 (0.64) MCHR1KCNH2CYP3A4HRH3
SCHEMBL539304 0.80 MCHR1 (1.00) MCHR1KCNH2CYP3A4
SCHEMBL539130 0.80 MCHR1 (0.86) MCHR1KCNH2CYP3A4
SCHEMBL12340017 0.79 MCHR1 (0.70) MCHR1KCNH2CYP3A4
SCHEMBL2962727 0.79 MCHR1 (0.98) MCHR1KCNH2CYP3A4
SCHEMBL4539171 0.79 MCHR1 (0.71) MCHR1KCNH2CYP3A4HRH3
Hydrochloric Acid SCHEMBL2966575 0.79 MCHR1 (0.98) MCHR1KCNH2CYP3A4
SCHEMBL12343948 0.79 MCHR1 (0.70) MCHR1KCNH2CYP3A4HRH3
Hydrochloric Acid SCHEMBL4566712 0.78 MCHR1 (0.69) MCHR1KCNH2CYP3A4

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 6 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
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 975/4885CYP3A4 88/4885

“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.