SCHEMBL6500752

SCHEMBL6500752

O=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
DGAT1 O75907 8/20 0.44
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 1/20 0.41
SCD O00767 1/20 0.39
CHRNA7 P36544 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
GSTO1 P78417 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL6489240 0.91 USP30 (0.43) USP30DGAT1HDAC6HDAC1
SCHEMBL6499660 0.91 USP30 (0.43) USP30DGAT1HDAC6HDAC1
SCHEMBL6491156 0.90 USP30 (0.41) USP30DGAT1HDAC6HDAC1
SCHEMBL6497610 0.90 HDAC6 (0.47) USP30DGAT1HDAC6HDAC1
SCHEMBL6491679 0.90 USP30 (0.43) USP30DGAT1
SCHEMBL6497171 0.90 HDAC1 (0.46) USP30DGAT1HDAC6HDAC1
SCHEMBL6501682 0.89 USP30 (0.43) USP30DGAT1HDAC6HDAC1
SCHEMBL6502161 0.89 HDAC1 (0.43) USP30DGAT1HDAC6HDAC1
SCHEMBL6486763 0.89 HDAC1 (0.43) USP30DGAT1HDAC6HDAC1
SCHEMBL6486393 0.89 USP30 (0.41) USP30DGAT1HDAC6HDAC1

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 3442/4885DGAT1 2495/4885KDR 3730/4885

“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.