SCHEMBL195711

SCHEMBL195711

CCCCc1noc(C)c1CCc1ccc(C(=O)NC2CCOC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.53
ITGA5 P08648 4/20 0.47
GABRA1 P14867 4/20 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
SCHEMBL285768 0.86 GABRA5 (0.69) GABRA5ITGA5GABRA1
SCHEMBL285417 0.86 GABRA5 (0.69) GABRA5ITGA5GABRA1
SCHEMBL195463 0.82 GABRA5 (0.49) GABRA5ITGA5GABRA1
SCHEMBL195462 0.82 GABRA5 (0.49) GABRA5ITGA5GABRA1
SCHEMBL285448 0.82 GABRA5 (0.43) GABRA5ITGA5GABRA1
SCHEMBL285420 0.81 GABRA5 (0.69) GABRA5ITGA5GABRA1
SCHEMBL285756 0.81 GABRA5 (0.70) GABRA5ITGA5GABRA1
SCHEMBL15255843 0.78 GABRA5 (0.39) GABRA5ITGA5GABRA1
SCHEMBL18091983 0.78 GABRA5 (0.41) GABRA5ITGA5GABRA1
SCHEMBL195881 0.78 GABRA5 (0.50) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP claimed
EP-2401271-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP claimed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO claimed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 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-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
EP-2401271-B1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2013-03-27 EP disclosed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2401271-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER AS GABA A ALPHA5 RECEPTOR INVERSE AGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO disclosed
WO-2010097368-A1 ISOXAZOLE / O-PYRIDINE DERIVATIVES WITH ETHYL AND ETHENYL LINKER F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 WO disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 US disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 US disclosed
US-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER ROCHE PALO ALTO LLC 2010-08-26 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-20100216845-A1 ISOXAZOLES / O-PYRIDINES WITH ETHYL AND ETHENYL LINKER GABRA5, GABRA1, GABRA4 GABRA5 1/4885ITGA5 92/4885GABRA1 2/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885ITGA5 2402/4885GABRA1 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.