SCHEMBL6503138

SCHEMBL6503138

O=C(NC1CC2CC1CN2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.35
USP30 Q70CQ3 1/20 0.35
DGAT1 O75907 6/20 0.35
IRAK4 Q9NWZ3 1/20 0.33
MAPT P10636 2/20 0.32
JAK2 O60674 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KLK7 P49862 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
AR P10275 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ADRA2A P08913 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL6498771 0.88 USP30 (0.38) PARP14USP30DGAT1IRAK4HDAC1
SCHEMBL6500463 0.85 CHRNA7 (0.41) PARP14TP53HDAC6SMN1; SMN2
SCHEMBL6499357 0.84 PARP14 (0.35) PARP14USP30DGAT1MAPTJAK2
SCHEMBL6487656 0.84 DGAT1 (0.45) USP30DGAT1TP53HDAC1HDAC6
SCHEMBL6486475 0.83 USP30 (0.38) USP30DGAT1IRAK4HDAC1HDAC6
SCHEMBL6490896 0.83 DGAT1 (0.40) USP30DGAT1MAPTTP53HDAC6
SCHEMBL6488002 0.82 USP30 (0.39) USP30DGAT1IRAK4HDAC1HDAC6
SCHEMBL6496470 0.81 FAAH (0.36) PARP14MAPTJAK2TP53HTT
SCHEMBL6494676 0.81 USP30 (0.38) USP30DGAT1IRAK4HDAC1HDAC6
SCHEMBL6498058 0.81 USP30 (0.40) USP30DGAT1IRAK4HDAC1HDAC6

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 PARP14 1038/4885USP30 3442/4885DGAT1 2495/4885

“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.