SCHEMBL6498771

SCHEMBL6498771

CC(=O)Nc1ccccc1-c1cnc(C(=O)NC2CC3CC2CN3)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.35
DGAT1 O75907 4/20 0.35
PARP14 Q460N5 4/20 0.34
LIMK1 P53667 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAOA P21397 1/20 0.33
CYP2C9 P11712 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6503138 0.88 PARP14 (0.35) USP30DGAT1PARP14HDAC1HDAC6
SCHEMBL6498058 0.86 USP30 (0.40) USP30DGAT1LIMK1HDAC1HDAC6
SCHEMBL6488002 0.85 USP30 (0.39) USP30DGAT1HDAC1HDAC6HDAC3
SCHEMBL6487891 0.84 CHRNA7 (0.43) ALDH1A1PARP14
SCHEMBL6490674 0.84 HDAC1 (0.48) USP30DGAT1LIMK1HDAC1HDAC6
SCHEMBL6494676 0.84 USP30 (0.38) USP30DGAT1HDAC1HDAC6HDAC3
SCHEMBL6486475 0.84 USP30 (0.38) USP30DGAT1HDAC1HDAC6HDAC3
SCHEMBL6489257 0.83 USP30 (0.38) USP30ALDH1A1DGAT1PARP14LIMK1
SCHEMBL6485776 0.83 DGAT1 (0.47) USP30DGAT1SMN1; SMN2
SCHEMBL6490625 0.83 HDAC3 (0.50) USP30ALDH1A1DGAT1HDAC1HDAC6

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.