SCHEMBL4408394

SCHEMBL4408394

Oc1[c]c(N2CCC(F)(F)C2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
MAOB P27338 8/20 0.40
PDE10A Q9Y233 1/20 0.37
HDAC4 P56524 1/20 0.36
CNR2 P34972 3/20 0.35
WHR1 P49842 2/20 0.35
HTR6 P50406 1/20 0.35
JAK2 O60674 1/20 0.34
GBA1 P04062 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
SCHEMBL4406751 0.79 KDM4E (0.47)
SCHEMBL8239788 0.76 MGLL (0.43) MGLLMAOBPDE10AHDAC4WHR1
SCHEMBL8239786 0.75 PDE10A (0.45) MGLLMAOBPDE10AGBA1
SCHEMBL4416479 0.70 CYP19A1 (0.38) MAOBPDE10A
SCHEMBL3641349 0.67 MAOB (0.57) MAOBCNR2HTR6
SCHEMBL21957634 0.66 HDAC4 (0.54) MGLLMAOBHDAC4
SCHEMBL4406863 0.65 MAPK1 (0.44) MAOBHDAC4
SCHEMBL22144604 0.65 GLA (0.68) MAOBWHR1HTR6GBA1
SCHEMBL4408162 0.65 GBA1 (0.37) MGLLMAOBPDE10AHDAC4CNR2
SCHEMBL19692918 0.65 KDM4E (0.39) MAOBPDE10A

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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US claimed
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 MGLL 1203/4885MAOB 3001/4885PDE10A 2888/4885

“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.