SCHEMBL253170

SCHEMBL253170

CCCCc1noc(C)c1C=Cc1ccc(C(=O)N[C@@H](C)CO)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 14/20 0.46
HDAC4 P56524 3/20 0.44
HDAC6 Q9UBN7 2/20 0.38
GABRA1 P14867 3/20 0.37

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
SCHEMBL195653 1.00 GABRA5 (0.46) GABRA5HDAC4HDAC6GABRA1
SCHEMBL252705 1.00 GABRA5 (0.46) GABRA5HDAC4HDAC6GABRA1
SCHEMBL195746 1.00 GABRA5 (0.46) GABRA5HDAC4HDAC6GABRA1
SCHEMBL253530 1.00 GABRA5 (0.46) GABRA5HDAC4HDAC6GABRA1
SCHEMBL196101 1.00 GABRA5 (0.46) GABRA5HDAC4HDAC6GABRA1
SCHEMBL195919 0.91 GABRA5 (0.45) GABRA5GABRA1
SCHEMBL254424 0.91 GABRA5 (0.45) GABRA5GABRA1
SCHEMBL196306 0.91 GABRA5 (0.46) GABRA5GABRA1
SCHEMBL196305 0.91 GABRA5 (0.46) GABRA5GABRA1
SCHEMBL14817774 0.90 HPGD (0.40) 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 11 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
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US 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
US-8389550-B2 Isoxazoles / O-pyridines with ethyl and ethenyl linker HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US 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
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 1/4885HDAC4 1541/4885HDAC6 1264/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA5 10/4885HDAC4 1424/4885HDAC6 204/4885

“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.