SCHEMBL4249066

SCHEMBL4249066

CCN(CC)CCCCNc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)o1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.77
KCNH2 Q12809 15/20 0.77
ADCY1 Q08828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4246557 0.97 CHRNA7 (0.76) CHRNA7KCNH2ADCY1TDP1
SCHEMBL13878545 0.87 CHRNA7 (0.74) CHRNA7KCNH2ADCY1
SCHEMBL4242097 0.87 CHRNA7 (1.00) CHRNA7KCNH2
SCHEMBL4238535 0.86 CHRNA7 (0.59) CHRNA7KCNH2TDP1
SCHEMBL13878544 0.86 CHRNA7 (0.72) CHRNA7KCNH2ADCY1
SCHEMBL13878542 0.86 CHRNA7 (0.67) CHRNA7KCNH2ADCY1TDP1
SCHEMBL4251616 0.86 CHRNA7 (0.66) CHRNA7KCNH2ADCY1
SCHEMBL4241965 0.85 CHRNA7 (0.67) CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL4243421 0.85 CHRNA7 (0.67) CHRNA7KCNH2ADCY1TDP1
SCHEMBL4247664 0.85 CHRNA7 (0.57) CHRNA7KCNH2TDP1

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-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
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
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
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO 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 815/4885ADCY1 733/4885

“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.