SCHEMBL4535618

SCHEMBL4535618

CC(C)NCCc1ccc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.52
KCNH2 Q12809 11/20 0.52
CYP3A4 P08684 1/20 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
SCHEMBL4534662 0.91 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4537952 0.90 MCHR1 (0.54) MCHR1KCNH2CYP3A4
SCHEMBL4534751 0.88 MCHR1 (0.52) MCHR1KCNH2CYP3A4
SCHEMBL4531609 0.87 MCHR1 (0.52) MCHR1KCNH2CYP3A4
SCHEMBL4532101 0.86 MCHR1 (0.54) MCHR1KCNH2CYP3A4
SCHEMBL4539201 0.85 MCHR1 (0.56) MCHR1
SCHEMBL4529496 0.85 MCHR1 (0.54) MCHR1KCNH2CYP3A4
SCHEMBL14138243 0.85 MCHR1 (0.54) MCHR1KCNH2CYP3A4
SCHEMBL4541094 0.84 MCHR1 (0.56) MCHR1KCNH2
SCHEMBL4541288 0.84 MCHR1 (0.56) MCHR1KCNH2

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-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

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.