SCHEMBL13878633

SCHEMBL13878633

CCC(=O)Nc1ccc(-c2nnc(NCCCN(CC)CC)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.69
KCNH2 Q12809 14/20 0.69
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 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
Trifluoroacetic Acid SCHEMBL4243437 0.93 CHRNA7 (0.65) CHRNA7KCNH2NPC1RAB9AHTT
SCHEMBL13878556 0.92 CHRNA7 (0.67) CHRNA7KCNH2NPC1RAB9AHTT
SCHEMBL13878559 0.90 CHRNA7 (0.65) CHRNA7KCNH2NPC1RAB9AALDH1A1
SCHEMBL13878563 0.88 CHRNA7 (0.65) CHRNA7KCNH2
SCHEMBL4246557 0.85 CHRNA7 (0.76) CHRNA7KCNH2HTTALDH1A1
Trifluoroacetic Acid SCHEMBL4238449 0.85 CHRNA7 (0.63) CHRNA7KCNH2NPC1RAB9AHTT
Trifluoroacetic Acid SCHEMBL4244896 0.84 CHRNA7 (0.61) CHRNA7KCNH2NPC1RAB9AALDH1A1
SCHEMBL13878568 0.84 CHRNA7 (0.65) CHRNA7KCNH2RAB9A
SCHEMBL13878574 0.84 CHRNA7 (0.68) CHRNA7KCNH2RAB9AALDH1A1
SCHEMBL13878545 0.84 CHRNA7 (0.74) CHRNA7KCNH2

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-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 815/4885NPC1 1641/4885

“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.