SCHEMBL6499800

SCHEMBL6499800

O=C(NC1CC2CC1CN2)c1ncc(-c2cccc(O)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
HSD17B1 P14061 4/20 0.43
HSD17B2 P37059 4/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.38
HDAC6 Q9UBN7 7/20 0.38
HDAC1 Q13547 5/20 0.38
DGAT1 O75907 1/20 0.38
HPGDS O60760 3/20 0.36
MLLT1 Q03111 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6495134 0.90 USP30 (0.44) USP30HSD17B1HSD17B2HDAC6HDAC1
SCHEMBL6489724 0.90 USP30 (0.53) USP30HDAC6HDAC1DGAT1
SCHEMBL6501650 0.90 USP30 (0.44) USP30HDAC6HDAC1DGAT1HPGDS
SCHEMBL6487733 0.89 USP30 (0.43) USP30HDAC6HDAC1DGAT1
SCHEMBL6500135 0.89 HDAC6 (0.49) USP30HSD17B1HSD17B2HDAC6HDAC1
SCHEMBL6487027 0.89 HDAC6 (0.50) USP30HDAC6HDAC1DGAT1
SCHEMBL6487324 0.86 HDAC6 (0.52) USP30HSD17B1HSD17B2HDAC6HDAC1
SCHEMBL6488820 0.85 NQO2 (0.45) USP30DGAT1KDM1A
SCHEMBL6499855 0.85 HDAC1 (0.45) USP30HDAC6HDAC1DGAT1
SCHEMBL6498247 0.85 USP30 (0.45) USP30HSD17B1HSD17B2HDAC6HDAC1

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 3442/4885HSD17B1 311/4885HSD17B2 517/4885

“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.