SCHEMBL24034836

SCHEMBL24034836

Cn1nnc(-c2ccc(Cl)cc2F)c1CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
HSD11B1 P28845 3/20 0.40
CNR2 P34972 1/20 0.38
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK14 Q16539 1/20 0.35
NOTUM Q6P988 1/20 0.35
KMO O15229 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34

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
SCHEMBL24034890 0.86 DPP4 (0.39) GRM2SIGMAR1MAPK14
SCHEMBL24034793 0.84 GRM2 (0.44) GRM2HSD11B1CNR2SIGMAR1CYP2C9
SCHEMBL30111765 0.84 GRM2 (0.44) GRM2HSD11B1CNR2SIGMAR1CYP2C9
SCHEMBL24034845 0.81 HSD11B1 (0.43) GRM2HSD11B1IDO1NOTUM
SCHEMBL30111784 0.81 HSD11B1 (0.43) GRM2HSD11B1IDO1NOTUM
SCHEMBL2687426 0.80 DHODH (0.38) HSD11B1NOTUM
SCHEMBL26133685 0.78 HSD11B1 (0.40) GRM2HSD11B1CNR2IDO1TDO2
SCHEMBL21834138 0.76 CCNC (0.46) NOTUMCCNCCDK8
SCHEMBL15543675 0.75 CCNC (0.41) IDO1MAPK14CCNCCDK8
SCHEMBL28906210 0.74 ALDH1A1 (0.48) IDO1TDO2BRD4BRD2BRD3

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-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
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US 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
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 WO 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 64/4885HSD11B1 2561/4885CNR2 255/4885

“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.