SCHEMBL4246865

SCHEMBL4246865

COc1cc(NC(=O)C2CCCCC2)ccc1C(=O)NNC(=S)NCCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.57
MCHR2 Q969V1 2/20 0.55
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
QPCT Q16769 3/20 0.47
DRD2 P14416 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
GRM4 Q14833 1/20 0.46
HTR4 Q13639 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRNA7 P36544 3/20 0.44
KCNH2 Q12809 3/20 0.44
KDM4E B2RXH2 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
SCHEMBL13878304 0.93 LMNA (0.57) MCHR1MCHR2DUSP3PTPN5PTPN11
SCHEMBL13878306 0.89 MCHR1 (0.56) MCHR1MCHR2LMNAMAPTQPCT
SCHEMBL4244089 0.83 MCHR1 (0.60) MCHR1MCHR2DUSP3PTPN5PTPN11
SCHEMBL4245246 0.83 MCHR1 (0.61) MCHR1MCHR2DUSP3PTPN5PTPN11
SCHEMBL4246648 0.81 CHRNA7 (0.60) MCHR1MCHR2DUSP3PTPN5PTPN11
SCHEMBL4247334 0.80 KDM4E (0.56) LMNAMAPTKMT2ACHRNA7KCNH2
SCHEMBL4381830 0.77 MCHR1 (0.56) MCHR1LMNAQPCT
SCHEMBL4246988 0.76 GAA (0.63) LMNAMAPTKDM4E
SCHEMBL4389852 0.76 MCHR1 (0.56) MCHR1LMNACHRNA7KCNH2KDM4E
SCHEMBL4397732 0.76 CHRNA7 (0.61) MCHR1MCHR2LMNAKMT2ACHRNA7

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 356/4885MCHR2 379/4885DUSP3 4242/4885

“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.