SCHEMBL6489257

SCHEMBL6489257

CC(=O)Nc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 3/20 0.35
DGAT1 O75907 4/20 0.34
PARP14 Q460N5 5/20 0.34
LIMK1 P53667 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL6499357 0.88 PARP14 (0.35) USP30DGAT1PARP14HDAC3HDAC1
SCHEMBL6488254 0.86 USP30 (0.40) USP30DGAT1LIMK1HDAC3HDAC1
SCHEMBL6490592 0.85 USP30 (0.38) USP30DGAT1HDAC3HDAC1HDAC2
SCHEMBL6497526 0.84 HDAC6 (0.48) USP30ALDH1A1DGAT1HDAC3HDAC1
SCHEMBL6486229 0.84 CHRNA7 (0.42) ALDH1A1PARP14SMN1; SMN2
SCHEMBL6496164 0.84 HDAC1 (0.45) USP30DGAT1LIMK1HDAC3HDAC1
SCHEMBL6495825 0.84 USP30 (0.38) USP30DGAT1HDAC3HDAC1HDAC2
SCHEMBL6499796 0.84 USP30 (0.38) USP30DGAT1HDAC3HDAC1HDAC2
SCHEMBL6498771 0.83 USP30 (0.38) USP30ALDH1A1DGAT1PARP14LIMK1
SCHEMBL6499341 0.82 DGAT1 (0.45) USP30DGAT1SMN1; SMN2

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 USP30 3442/4885ALDH1A1 625/4885DGAT1 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.