SCHEMBL2628064

SCHEMBL2628064

Cc1onc(-c2ccc(F)cc2)c1COc1cc(C(=O)NC(C)C(F)(F)F)n(C)n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.60
GABRA1 P14867 1/20 0.57
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL285690 1.00 GABRA5 (0.60) GABRA5GABRA1GABRG2GABRB3KCNH2
SCHEMBL286291 0.92 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL286044 0.89 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL286658 0.89 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL286151 0.89 GABRA5 (0.59) GABRA5GABRG2GABRB3KCNH2
SCHEMBL285879 0.86 GABRA5 (0.60) GABRA5
SCHEMBL2099131 0.86 GABRA5 (0.60) GABRA5
SCHEMBL2098505 0.86 GABRA5 (0.60) GABRA5
SCHEMBL2098576 0.86 GABRA5 (0.59) GABRA5GABRA1
SCHEMBL297776 0.86 GABRA5 (0.59) GABRA5GABRA1

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
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
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

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.