SCHEMBL2686909

SCHEMBL2686909

Cn1nnc(-c2ccc(F)cc2)c1COc1ccc(C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 0.59
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL2689011 0.90 MAPT (0.49) GABRA5MAPTL3MBTL1
SCHEMBL2687454 0.89 GABRA5 (0.60) GABRA5
SCHEMBL2688726 0.87 GABRA5 (0.60) GABRA5MAPTL3MBTL1
SCHEMBL2688087 0.87 GABRA5 (0.63) GABRA5
SCHEMBL2688705 0.85 GABRA5 (0.62) GABRA5
SCHEMBL2687939 0.85 GABRA5 (0.51) GABRA5
SCHEMBL2688051 0.83 GABRA5 (0.52) GABRA5GABRA1GABRG2GABRB3
SCHEMBL2687937 0.83 GABRA5 (0.54) GABRA5
SCHEMBL2687688 0.83 GABRA5 (0.46) GABRA5MAPTL3MBTL1
SCHEMBL2684674 0.82 GABRA5 (0.67) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
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
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103249728-A Novel triazole compounds III HOFFMANN LA ROCHE 2013-08-14 CN disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO 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

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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 GABRA5 1/4885MAPT 2518/4885L3MBTL1 4566/4885
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 GABRA5 1/4885MAPT 1958/4885L3MBTL1 4576/4885

“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.