SCHEMBL4246643

SCHEMBL4246643

COc1cc(NC(=O)c2ccccc2F)ccc1C(=O)NNC(=S)ONCCCCN1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.58
KCNH2 Q12809 12/20 0.58
CHRNA1 P02708 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
MCHR1 Q99705 4/20 0.51
MCHR2 Q969V1 2/20 0.50
MET P08581 2/20 0.46

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
SCHEMBL4245241 0.90 MCHR1 (0.55) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4246648 0.89 CHRNA7 (0.60) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4249768 0.89 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4241926 0.88 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4242708 0.87 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4244089 0.86 MCHR1 (0.60) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4241890 0.86 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4242687 0.86 CHRNA7 (0.54) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4238218 0.85 CHRNA7 (0.53) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4245379 0.85 CHRNA7 (0.57) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885KCNH2 815/4885CHRNA1 7/4885

“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.