SCHEMBL4532727

SCHEMBL4532727

CN(C)CCOc1ccc2cc(-n3ccc(O)cc3=O)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KCNH2 Q12809 6/20 0.40
ESR1 P03372 1/20 0.38
KDR P35968 1/20 0.38
ATM Q13315 3/20 0.38
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
MELK Q14680 2/20 0.35

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
SCHEMBL4541909 0.90 KCNH2 (0.47) MCHR1KCNH2ESR1KDRCYP1A2
SCHEMBL4534597 0.82 SCN7A (0.48) MCHR1KCNH2
SCHEMBL4540231 0.81 MCHR1 (0.59) MCHR1KCNH2
SCHEMBL4531564 0.81 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4541266 0.81 HRH3 (0.46) MCHR1KCNH2
SCHEMBL4536158 0.79 MCHR1 (0.57) MCHR1KCNH2
SCHEMBL4537433 0.76 CYP1A2 (0.44) MCHR1KDM4ECYP1A2SRC
SCHEMBL4526576 0.74 MCHR1 (0.37) MCHR1KCNH2
SCHEMBL4534426 0.74 MCHR1 (0.73) MCHR1KCNH2
SCHEMBL13677545 0.72 MCHR1 (0.38) MCHR1KCNH2SRC

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 MCHR1 357/4885CHRNB2 1957/4885CHRNA4 1396/4885

“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.