SCHEMBL4534597

SCHEMBL4534597

O=c1cc(O)ccn1-c1ccc2nc(OCCN3CCCC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.48
MCHR1 Q99705 15/20 0.48
KCNH2 Q12809 11/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4541266 0.95 HRH3 (0.46) SCN7AMCHR1KCNH2HRH3
SCHEMBL4539171 0.84 MCHR1 (0.71) MCHR1KCNH2HRH3CYP3A4
SCHEMBL4532093 0.82 MCHR1 (0.72) MCHR1KCNH2HRH3
SCHEMBL4532727 0.82 MCHR1 (0.45) MCHR1KCNH2
SCHEMBL4542346 0.81 MCHR1 (0.56) SCN7AMCHR1KCNH2HRH3CYP3A4
SCHEMBL4541909 0.81 KCNH2 (0.47) MCHR1KCNH2MAPTKMT2AHRH3
SCHEMBL4540713 0.80 MCHR1 (0.56) MCHR1KCNH2HRH3
SCHEMBL4535271 0.80 MCHR1 (0.57) MCHR1KCNH2HRH3CYP3A4
SCHEMBL2895511 0.80 MCHR1 (0.68) MCHR1KCNH2HRH3
SCHEMBL4537437 0.79 MCHR1 (0.64) MCHR1KCNH2HRH3CYP3A4

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 2 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
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 SCN7A 4125/4885MCHR1 357/4885KCNH2 975/4885

“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.