SCHEMBL4244089

SCHEMBL4244089

COc1cc(NC(=O)c2ccccc2F)ccc1C(=O)NNC(=S)NCCCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.60
CHRNA7 P36544 12/20 0.59
KCNH2 Q12809 11/20 0.59
CHRNA1 P02708 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
MCHR2 Q969V1 2/20 0.58
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
MET P08581 1/20 0.47

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
SCHEMBL4246648 0.98 CHRNA7 (0.60) MCHR1CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL4397732 0.92 CHRNA7 (0.61) MCHR1CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL4031580 0.91 CHRNA7 (0.57) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4241933 0.89 CHRNA7 (0.58) MCHR1CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL4242711 0.88 CHRNA7 (0.58) MCHR1CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL4241899 0.87 CHRNA7 (0.58) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4245246 0.87 MCHR1 (0.61) MCHR1CHRNA7KCNH2MCHR2DUSP3
SCHEMBL4246643 0.86 CHRNA7 (0.58) MCHR1CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL4245380 0.86 CHRNA7 (0.59) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4249772 0.85 CHRNA7 (0.58) 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 MCHR1 356/4885CHRNA7 1/4885KCNH2 815/4885

“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.