SCHEMBL146403

SCHEMBL146403

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(F)(F)CBr

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA3 P22001 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
SIGMAR1 Q99720 6/20 0.39
JAK1 P23458 1/20 0.38
CHRM4 P08173 2/20 0.38
AKT1 P31749 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL146402 1.00 KMT2A (0.45) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2
SCHEMBL459129 1.00 KMT2A (0.45) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2
SCHEMBL146363 0.88 KMT2A (0.48) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2
SCHEMBL1721452 0.88 KMT2A (0.48) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2
SCHEMBL146364 0.88 KMT2A (0.48) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2
SCHEMBL1721155 0.87 SIGMAR1 (0.43) KMT2AL3MBTL1MAOBMAOADRD2
SCHEMBL1721160 0.87 SIGMAR1 (0.43) KMT2AL3MBTL1MAOBMAOADRD2
SCHEMBL3931356 0.82 SIGMAR1 (0.41) MAOBMAOADRD2DRD4DRD3
SCHEMBL3931359 0.82 SIGMAR1 (0.41) MAOBMAOADRD2DRD4DRD3
SCHEMBL7496942 0.81 KMT2A (0.52) KMT2AL3MBTL1KCNA3NPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 KMT2A 3204/4885L3MBTL1 4277/4885KCNA3 1790/4885

“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.