SCHEMBL108708

SCHEMBL108708

CCCCc1noc(C)c1COc1ccc(C(=O)NN2CCOCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 17/20 0.52
GABRA1 P14867 3/20 0.49
ITGA5 P08648 2/20 0.49

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
SCHEMBL107197 0.93 GABRA5 (0.50) GABRA5
SCHEMBL2672278 0.85 SMPD1 (0.43) GABRA5GABRA1
SCHEMBL285756 0.84 GABRA5 (0.70) GABRA5GABRA1ITGA5
SCHEMBL285878 0.82 GABRA5 (0.67) GABRA5GABRA1
SCHEMBL285682 0.82 GABRA5 (0.68) GABRA5GABRA1
SCHEMBL285820 0.82 GABRA5 (0.68) GABRA5ITGA5
SCHEMBL286297 0.82 GABRA5 (0.37) GABRA5GABRA1ITGA5
SCHEMBL285768 0.82 GABRA5 (0.69) GABRA5GABRA1ITGA5
SCHEMBL285417 0.82 GABRA5 (0.69) GABRA5GABRA1ITGA5
SCHEMBL107842 0.82 GABRA5 (0.52) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424863-B1 ISOXAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP claimed
US-8227461-B2 Isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US claimed
EP-2424863-A1 ISOXAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-07 EP claimed
US-20100280019-A1 ISOXAZOLES JAKOB-ROETNE ROLAND 2010-11-04 US claimed
US-20100280020-A1 ISOXAZOLES ROCHE PALO ALTO LLC 2010-11-04 US claimed
WO-2010125042-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-04 WO claimed
EP-2424863-B1 ISOXAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
EP-2424863-B1 ISOXAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
US-8227461-B2 Isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227461-B2 Isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227461-B2 Isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
EP-2424863-A1 ISOXAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
WO-2010125042-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-04 WO disclosed
US-20100280019-A1 ISOXAZOLES JAKOB-ROETNE ROLAND 2010-11-04 US disclosed
US-20100280019-A1 ISOXAZOLES JAKOB-ROETNE ROLAND 2010-11-04 US disclosed
US-20100280019-A1 ISOXAZOLES JAKOB-ROETNE ROLAND 2010-11-04 US disclosed
US-20100280020-A1 ISOXAZOLES ROCHE PALO ALTO LLC 2010-11-04 US disclosed
US-20100280020-A1 ISOXAZOLES ROCHE PALO ALTO LLC 2010-11-04 US disclosed
US-20100280020-A1 ISOXAZOLES ROCHE PALO ALTO LLC 2010-11-04 US disclosed
WO-2010125042-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-04 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-20100280020-A1 ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885ITGA5 166/4885
US-20100280019-A1 ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885ITGA5 166/4885

“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.