SCHEMBL2893515

SCHEMBL2893515

O=c1cc(/C=C/c2ccc(F)cc2)ccn1-c1ccc(OCC[N+]2([O-])CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
KCNH2 Q12809 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA10 Q9GZZ6 3/20 0.40
CHRNA9 Q9UGM1 3/20 0.40

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
SCHEMBL2893518 1.00 MCHR1 (0.47) MCHR1KCNH2HRH3CHRNB2CHRNB4
SCHEMBL2892523 0.90 CHRNB2 (0.49) MCHR1KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2892524 0.90 CHRNB2 (0.49) MCHR1KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2893398 0.82 MCHR1 (0.67) MCHR1KCNH2HRH3
SCHEMBL2887071 0.80 MCHR1 (0.74) MCHR1KCNH2HRH3
SCHEMBL2887074 0.80 MCHR1 (0.74) MCHR1KCNH2HRH3
SCHEMBL2891140 0.77 MCHR1 (0.54) MCHR1KCNH2HRH3
SCHEMBL2893479 0.77 MCHR1 (0.54) MCHR1KCNH2HRH3
SCHEMBL2893488 0.75 MCHR1 (0.50) MCHR1KCNH2HRH3
SCHEMBL2886910 0.74 MCHR1 (0.56) MCHR1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR MCHR1 535/4885KCNH2 1619/4885HRH3 28/4885

“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.