SCHEMBL2689138

SCHEMBL2689138

Cn1nnc(-c2ccccn2)c1COc1ccc(C(=O)NC2(C)COC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.54
ITGA5 P08648 1/20 0.46
GABRA1 P14867 1/20 0.41

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
SCHEMBL2688003 0.87 GABRA5 (0.49) GABRA5GABRA1
SCHEMBL2687680 0.86 GABRA5 (0.53) GABRA5GABRA1
SCHEMBL16104531 0.86 GABRA5 (0.52) GABRA5ITGA5
SCHEMBL2687932 0.85 GABRA5 (0.63) GABRA5ITGA5
SCHEMBL2688997 0.85 GABRA5 (0.51) GABRA5ITGA5
SCHEMBL5960541 0.84 GABRA5 (0.58) GABRA5ITGA5GABRA1
SCHEMBL2687268 0.84 GABRA5 (0.55) GABRA5
SCHEMBL2689395 0.83 GABRA5 (0.64) GABRA5
SCHEMBL2690702 0.82 GABRA5 (0.68) GABRA5ITGA5GABRA1
SCHEMBL6370913 0.82 GABRA5 (0.49) GABRA5ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US claimed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US claimed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 GABRA5 1/4885ITGA5 148/4885GABRA1 3/4885

“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.