SCHEMBL286268

SCHEMBL286268

Cn1nc(OCc2c(-c3ccc(F)cc3)noc2CO)cc1C(=O)N1CC2(COC2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.48
GABRA1 P14867 4/20 0.46
GABRG2 P18507 8/20 0.41
GABRB3 P28472 8/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
KCNH2 Q12809 6/20 0.39
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL286393 0.92 GABRA5 (0.48) GABRA5GABRA1
SCHEMBL286179 0.90 GABRA5 (0.60) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL286385 0.84 GABRA5 (0.60) GABRA5GABRA1
SCHEMBL286431 0.83 GABRA5 (0.50) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL286302 0.82 GABRA5 (0.47) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL286120 0.82 GABRA5 (0.54) GABRA5GABRG2GABRB3KCNH2
SCHEMBL286533 0.79 GABRA5 (0.54) GABRA5GABRA1
SCHEMBL286225 0.79 GABRA5 (0.48) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL286064 0.78 GABRA5 (0.69) GABRA5GABRA1
SCHEMBL286534 0.78 GABRA5 (0.47) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US claimed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286115-A1 PYRAZOLES 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885GABRG2 23/4885

“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.