SCHEMBL285717

SCHEMBL285717

CCCCc1noc(C)c1CNc1ccc(C(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.56
GABRA5 P31644 13/20 0.53
HCAR2 Q8TDS4 2/20 0.45

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
SCHEMBL286422 0.89 GABRA5 (0.64) HCAR3GABRA5
SCHEMBL285474 0.87 GABRA5 (0.66) GABRA5
SCHEMBL286255 0.85 GABRA5 (0.59) HCAR3GABRA5
SCHEMBL285422 0.84 GABRA5 (0.55) GABRA5
SCHEMBL285420 0.82 GABRA5 (0.69) GABRA5
SCHEMBL103674 0.79 GABRA5 (0.60) GABRA5
SCHEMBL2933116 0.78 GABRA5 (0.82) GABRA5
SCHEMBL14797029 0.74 HCAR3 (0.41) HCAR3GABRA5
SCHEMBL14797027 0.74 HCAR3 (0.41) HCAR3GABRA5
SCHEMBL22047713 0.73 HCAR3 (1.00) HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
US-8357703-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-01-22 US disclosed
EP-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286117-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 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-20100286117-A1 PYRIDINES GABRA5, GABRA1, GABRA4 HCAR3 110/4885GABRA5 1/4885HCAR2 187/4885

“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.