SCHEMBL462830

SCHEMBL462830

CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKT1 P31749 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33

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
SCHEMBL148173 1.00 KDM1A (0.39) KDM1AEPHX2NFKB1NFKB2RELA
SCHEMBL170772 1.00 KDM1A (0.39) KDM1AEPHX2NFKB1NFKB2RELA
SCHEMBL461482 0.92 KDM1A (0.37) KDM1AEPHX2NFKB1NFKB2RELA
SCHEMBL461481 0.92 KDM1A (0.37) KDM1AEPHX2NFKB1NFKB2RELA
SCHEMBL12891129 0.89 FPR1 (0.46) KDM1AFPR1FPR2AKT1
SCHEMBL13178100 0.89 FPR1 (0.46) KDM1AFPR1FPR2AKT1
SCHEMBL145665 0.87 FPR1 (0.44) KDM1AEPHX2MAOBMAOAFPR1
SCHEMBL146483 0.87 KDM1A (0.40) KDM1AEPHX2NFKB1NFKB2RELA
SCHEMBL145666 0.87 FPR1 (0.44) KDM1AEPHX2MAOBMAOAFPR1
SCHEMBL146482 0.87 KDM1A (0.40) KDM1AEPHX2NFKB1NFKB2RELA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 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-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 KDM1A 4417/4885EPHX2 1639/4885NFKB1 3766/4885

“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.