SCHEMBL4408162

SCHEMBL4408162

Oc1nc(N2CCC(F)(F)C2)nc2ccc[c]c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.37
PDE10A Q9Y233 1/20 0.34
WHR1 P49842 5/20 0.34
MGLL Q99685 1/20 0.33
HDAC4 P56524 1/20 0.33
CNR2 P34972 3/20 0.31
MAP3K12 Q12852 3/20 0.31
DPP4 P27487 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL8239788 0.80 MGLL (0.43) GBA1PDE10AWHR1MGLLHDAC4
SCHEMBL4404584 0.79 HSD17B10 (0.45) GBA1
SCHEMBL4406314 0.70
SCHEMBL4413940 0.66 ADORA2A (0.37)
SCHEMBL28814979 0.65 HDAC4 (0.39) GBA1PDE10AWHR1MGLLHDAC4
SCHEMBL4408394 0.65 MGLL (0.42) GBA1PDE10AWHR1MGLLHDAC4
SCHEMBL27924071 0.64 PDE10A (0.35) PDE10AHDAC4CNR2DPP4
SCHEMBL4404597 0.64 MAPT (0.41) HDAC4
SCHEMBL4412489 0.64
SCHEMBL4404585 0.64

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 GBA1 2953/4885PDE10A 2888/4885WHR1 2395/4885

“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.