SCHEMBL2687688

SCHEMBL2687688

Cn1nnc(-c2ccccc2F)c1COc1ccc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CXCR2 P25025 1/20 0.38
TTR P02766 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
PTGER1 P34995 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
GCK P35557 1/20 0.36

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
SCHEMBL2687233 0.90 GABRA5 (0.47) GABRA5MAPT
SCHEMBL2688333 0.87 GABRA5 (0.63) GABRA5
SCHEMBL2689011 0.86 MAPT (0.49) GABRA5MAPTL3MBTL1
SCHEMBL2689151 0.83 GABRA5 (0.51) GABRA5
SCHEMBL2686909 0.83 GABRA5 (0.59) GABRA5MAPTL3MBTL1
SCHEMBL2687571 0.82 GABRA5 (0.59) GABRA5MAPTL3MBTL1
SCHEMBL2687680 0.82 GABRA5 (0.53) GABRA5CXCR2
SCHEMBL2688493 0.82 GABRA5 (0.55) GABRA5
SCHEMBL2687570 0.82 GABRA5 (0.50) GABRA5
SCHEMBL2689811 0.81 GABRA5 (0.68) 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 5 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 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

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 1/4885MAPT 2518/4885L3MBTL1 4566/4885

“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.