SCHEMBL535802

SCHEMBL535802

O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.81
GABRA1 P14867 2/20 0.64

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
SCHEMBL14142662 1.00 GABRA5 (0.81) GABRA5GABRA1
SCHEMBL536042 1.00 GABRA5 (0.81) GABRA5GABRA1
SCHEMBL536518 0.92 GABRA5 (0.81) GABRA5GABRA1
SCHEMBL3104170 0.92 GABRA5 (0.81) GABRA5GABRA1
SCHEMBL2954635 0.89 GABRA5 (1.00) GABRA5GABRA1
SCHEMBL2954638 0.89 GABRA5 (1.00) GABRA5GABRA1
SCHEMBL4162065 0.89 GABRA5 (1.00) GABRA5GABRA1
SCHEMBL536246 0.88 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL536319 0.83 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL4151387 0.82 GABRA5 (1.00) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP claimed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US claimed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
EP-2414354-B1 Hydroxy-methyl isoxazole derivatives as gaba a modulators HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222246-B2 Substituted isoxazoles HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
EP-2414354-A1 Hydroxy-methyl isoxazole derivatives as gaba a modulators F. Hoffmann-La Roche AG (CH) 2012-02-08 EP disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
WO-2010112475-A1 HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-07 WO disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 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 (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-20100256127-A1 SUBSTITUTED ISOXAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885GABRA1 16/4885

“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.