SCHEMBL3215219

SCHEMBL3215219

O=C(NC1CC1)c1cccc(-c2ccc3nc([C@@H]4CCCN4C(=O)OCc4ccccc4)[nH]c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 9/20 0.43
PRCP P42785 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL3215233 1.00 USP30 (0.45) USP30ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3212260 0.94 USP30 (0.42) USP30ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3212273 0.94 USP30 (0.42) USP30ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3200648 0.94 USP30 (0.48) USP30ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3200630 0.94 USP30 (0.48) USP30ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3212715 0.90 USP30 (0.46) USP30HCRTR1HCRTR2PRCP
SCHEMBL3219377 0.90 USP30 (0.46) USP30HCRTR1HCRTR2PRCP
SCHEMBL3204733 0.89 HCRTR1 (0.47) ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3219085 0.89 HCRTR1 (0.47) ENPP2ATXN2HCRTR1HCRTR2
SCHEMBL3225942 0.89 USP30 (0.48) USP30HCRTR1HCRTR2PRCP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786774-B1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-14 EP claimed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100055071-A1 Anti-Viral Compounds SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2097405-A2 ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-09 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO 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 (2 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 USP30 4072/4885ENPP2 1731/4885ATXN2 3522/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 USP30 4072/4885ENPP2 1731/4885ATXN2 3522/4885

“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.