SCHEMBL7797628

SCHEMBL7797628

CCCCc1noc(C)c1COc1cc(C(=O)N[C@@H]2CCOC2)on1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.51
GABRA1 P14867 7/20 0.49
ITGA5 P08648 2/20 0.46

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
SCHEMBL7797616 1.00 GABRA5 (0.51) GABRA5GABRA1ITGA5
SCHEMBL7800791 1.00 GABRA5 (0.51) GABRA5GABRA1ITGA5
SCHEMBL15252233 0.88 GABRA5 (0.46) GABRA5GABRA1ITGA5
SCHEMBL15252509 0.88 GABRA5 (0.46) GABRA5GABRA1ITGA5
SCHEMBL15252352 0.88 GABRA5 (0.46) GABRA5GABRA1ITGA5
SCHEMBL7797621 0.86 GABRA5 (0.48) GABRA5GABRA1ITGA5
SCHEMBL286058 0.86 GABRA1 (0.48) GABRA5GABRA1ITGA5
SCHEMBL295695 0.86 GABRA1 (0.48) GABRA5GABRA1ITGA5
SCHEMBL300344 0.86 GABRA1 (0.48) GABRA5GABRA1ITGA5
SCHEMBL285417 0.86 GABRA5 (0.69) GABRA5GABRA1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398782-B1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-09-18 EP disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
US-8173652-B2 Isoxazole-isoxazoles and isoxazole-isothiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-08 US disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 US disclosed
US-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES ROCHE PALO ALTO LLC 2010-08-19 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-20100210651-A1 ISOXAZOLE-ISOXAZOLES AND ISOXAZOLE-ISOTHIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885ITGA5 175/4885

“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.