SCHEMBL285708

SCHEMBL285708

CCCCc1noc(C)c1CCc1nc(C)c(C(=O)NC2CCOCC2)s1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
GABRA5 P31644 14/20 0.39
ITGA5 P08648 3/20 0.36
LMNA P02545 1/20 0.35
GABRA1 P14867 3/20 0.35

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
SCHEMBL285524 0.95 CHRM4 (0.41) CHRM4GABRA5ITGA5GABRA1
SCHEMBL18092065 0.85 GABRA5 (0.36) CHRM4GABRA5ITGA5GABRA1
SCHEMBL286187 0.83 POLB (0.38) LMNA
SCHEMBL285753 0.83 GABRA5 (0.42) GABRA5ITGA5GABRA1
SCHEMBL285821 0.81 GABRA5 (0.49) CHRM4GABRA5ITGA5LMNAGABRA1
SCHEMBL286186 0.81 L3MBTL1 (0.37) CHRM4GABRA5LMNA
SCHEMBL18092034 0.80 GABRA5 (0.35) CHRM4GABRA5ITGA5GABRA1
SCHEMBL285557 0.80 GABRA5 (0.59) GABRA5ITGA5
SCHEMBL285957 0.80 ALDH1A1 (0.38) GABRA5GABRA1
SCHEMBL285984 0.79 POLB (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
EP-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127974-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286116-A1 THIAZOLES GABRA5, GABRA1, GABRA4 CHRM4 308/4885GABRA5 1/4885ITGA5 199/4885

“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.