SCHEMBL4404824

SCHEMBL4404824

Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2CCOCC2)n(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 1.00
GABRG2 P18507 10/20 0.54
GABRB3 P28472 10/20 0.54
KCNH2 Q12809 5/20 0.54
DGAT2 Q96PD7 1/20 0.42

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
SCHEMBL16290088 0.89 GABRA5 (0.80) GABRA5GABRG2GABRB3KCNH2
SCHEMBL2684854 0.86 GABRA5 (1.00) GABRA5GABRG2GABRB3KCNH2
SCHEMBL5960871 0.84 GABRA5 (0.72) GABRA5GABRG2GABRB3KCNH2
SCHEMBL4407568 0.84 GABRA5 (1.00) GABRA5
SCHEMBL5960036 0.83 GABRA5 (0.71) GABRA5GABRG2GABRB3KCNH2
SCHEMBL2686994 0.83 GABRA5 (0.71) GABRA5GABRG2GABRB3KCNH2
SCHEMBL4404830 0.83 GABRA5 (1.00) GABRA5GABRG2GABRB3KCNH2DGAT2
SCHEMBL2682741 0.82 GABRA5 (0.70) GABRA5GABRG2GABRB3KCNH2
SCHEMBL2682578 0.82 GABRA5 (0.70) GABRA5GABRG2GABRB3KCNH2
SCHEMBL16086927 0.81 GABRA5 (0.68) GABRA5GABRG2GABRB3KCNH2

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 1/4885GABRG2 21/4885GABRB3 8/4885

“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.