SCHEMBL6488002

SCHEMBL6488002

O=C(NC1CC2CC1CN2)c1ncc(-c2ccccc2O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.39
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 3/20 0.35
DGAT1 O75907 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
RIPK1 Q13546 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
SCHEMBL6490674 0.88 HDAC1 (0.48) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6494676 0.88 USP30 (0.38) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6498058 0.88 USP30 (0.40) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6486475 0.88 USP30 (0.38) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6490625 0.85 HDAC3 (0.50) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6489724 0.85 USP30 (0.53) USP30HDAC6HDAC1DGAT1
SCHEMBL6498771 0.85 USP30 (0.38) USP30HDAC6HDAC1DGAT1HDAC3
SCHEMBL6495134 0.83 USP30 (0.44) USP30HDAC6HDAC1DGAT1
SCHEMBL6503138 0.82 PARP14 (0.35) USP30HDAC6HDAC1DGAT1HDAC8
SCHEMBL6485554 0.82 CHRNA7 (0.46) RAB9ANPC1

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 3442/4885HDAC6 1069/4885HDAC1 467/4885

“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.