SCHEMBL3219085

SCHEMBL3219085

Cc1cc(C(=O)NC2CC2)ccc1-c1ccc2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.47
HCRTR2 O43614 12/20 0.47
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL3204733 1.00 HCRTR1 (0.47) HCRTR1HCRTR2ENPP2ATXN2ROCK2
SCHEMBL3200630 0.90 USP30 (0.48) HCRTR1HCRTR2ENPP2ATXN2
SCHEMBL3200648 0.90 USP30 (0.48) HCRTR1HCRTR2ENPP2ATXN2
SCHEMBL3215219 0.89 USP30 (0.45) HCRTR1HCRTR2ENPP2ATXN2
SCHEMBL3215233 0.89 USP30 (0.45) HCRTR1HCRTR2ENPP2ATXN2
SCHEMBL4994210 0.87 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL4997276 0.84 TMEM97 (0.48) ROCK2ROCK1MAPK14
SCHEMBL3212273 0.83 USP30 (0.42) HCRTR1HCRTR2ENPP2ATXN2ROCK2
SCHEMBL3212260 0.83 USP30 (0.42) HCRTR1HCRTR2ENPP2ATXN2ROCK2
SCHEMBL12332122 0.83 USP30 (0.55) HCRTR1HCRTR2

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-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
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 HCRTR1 2912/4885HCRTR2 3926/4885ENPP2 1731/4885
US-20100055071-A1 Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 HCRTR1 2912/4885HCRTR2 3926/4885ENPP2 1731/4885

“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.