SCHEMBL4407568

SCHEMBL4407568

Cn1nc(OCc2c(-c3ccc(F)cc3)nnn2C)cc1C(=O)NC1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 18/20 1.00
ITGA5 P08648 1/20 0.41
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
SCHEMBL6128405 0.92 GABRA5 (0.85) GABRA5ITGA5GABRA1
SCHEMBL16289750 0.88 GABRA5 (0.79) GABRA5ITGA5GABRA1
SCHEMBL4407566 0.86 GABRA5 (1.00) GABRA5ITGA5GABRA1
SCHEMBL5960910 0.86 GABRA5 (0.76) GABRA5ITGA5GABRA1
SCHEMBL5960843 0.85 GABRA5 (0.75) GABRA5ITGA5GABRA1
SCHEMBL2688870 0.85 GABRA5 (0.75) GABRA5ITGA5
SCHEMBL4404824 0.84 GABRA5 (1.00) GABRA5
SCHEMBL16087153 0.83 GABRA5 (0.72) GABRA5ITGA5GABRA1
SCHEMBL286327 0.83 GABRA5 (0.71) GABRA5ITGA5GABRA1
SCHEMBL16290070 0.82 GABRA5 (0.77) GABRA5ITGA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II 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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885ITGA5 164/4885GABRA1 2/4885

“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.