SCHEMBL30111745

SCHEMBL30111745

COc1ncc(-c2cnn(Cc3c(C)nnn3-c3ccc(Cl)cc3F)c(=O)c2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
SCN9A Q15858 14/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SCN5A Q14524 1/20 0.31

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
SCHEMBL24034905 1.00 GRM2 (0.35) GRM2GRIN1GRIN2BSCN9AHCRTR1
SCHEMBL26098778 0.87 NPBWR1 (0.36) GRIN1GRIN2B
SCHEMBL24034727 0.81 GRIN1 (0.39) GRM2GRIN1GRIN2B
SCHEMBL30111748 0.80 GRM2 (0.36) GRM2GRIN1GRIN2BSCN9ASCN5A
SCHEMBL24034906 0.80 GRM2 (0.36) GRM2GRIN1GRIN2BSCN9ASCN5A
SCHEMBL24034798 0.80 BRD4 (0.37)
SCHEMBL30111751 0.80 BRD4 (0.37) SCN9A
SCHEMBL24034610 0.80 BRD4 (0.37) SCN9A
SCHEMBL30111742 0.79 GRM2 (0.36) GRM2GRIN1GRIN2BSCN9A
SCHEMBL24034715 0.79 GRM2 (0.36) GRM2GRIN1GRIN2BSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP claimed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN claimed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 GRM2 64/4885GRIN1 45/4885GRIN2B 55/4885

“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.