SCHEMBL4243450

SCHEMBL4243450

CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)c3cccc(F)c3)cc2OC)o1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.55
KCNH2 Q12809 10/20 0.55
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
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADCY1 Q08828 2/20 0.45
MEN1 O00255 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL4242049 0.99 CHRNA7 (0.54) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4241833 0.95 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL13878581 0.93 CHRNA7 (0.53) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4247249 0.91 CHRNA7 (0.60) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4238244 0.91 CHRNA7 (0.55) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4239431 0.91 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4239544 0.90 CHRNA7 (0.59) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4241871 0.90 CHRNA7 (0.54) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4244879 0.89 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4247664 0.88 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 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 815/4885CHRNA1 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.