SCHEMBL4242206

SCHEMBL4242206

CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)C3CCCCC3)cc2C(F)(F)F)o1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.52
KCNH2 Q12809 15/20 0.52
ALDH1A1 P00352 1/20 0.40
CHRNA1 P02708 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4246409 0.98 CHRNA7 (0.51) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL4243116 0.89 CHRNA7 (0.53) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL4239669 0.88 CHRNA7 (0.53) CHRNA7KCNH2ALDH1A1HPGDUSP2
SCHEMBL4243170 0.87 CHRNA7 (0.53) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL4251560 0.86 CHRNA7 (0.52) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL4242225 0.86 CHRNA7 (0.53) CHRNA7KCNH2ALDH1A1HPGDUSP2
Trifluoroacetic Acid SCHEMBL4241210 0.85 CHRNA7 (0.48) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL13878628 0.85 CHRNA7 (0.51) CHRNA7KCNH2ALDH1A1CHRNA1CYP3A4
SCHEMBL4241869 0.85 CHRNA7 (0.71) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4244065 0.85 CHRNA7 (0.71) 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 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 815/4885ALDH1A1 780/4885

“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.