SCHEMBL24034795

SCHEMBL24034795

C[C@@H]1CN(c2cnn(Cc3c(-c4ccc(Cl)cc4F)nnn3C)c(=O)c2)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
MCHR1 Q99705 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
PDE2A O00408 1/20 0.32
CNR2 P34972 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE1B Q01064 2/20 0.32
MAPK14 Q16539 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRM2 Q14416 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL26095291 1.00 KMT2A (0.34) KMT2ASIGMAR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL24034722 0.91 GRM2 (0.36) SIGMAR1ALDH1A1PDE1BMAPK14MAOA
SCHEMBL24034844 0.90 FFAR2 (0.34) SIGMAR1MCHR1PDE2AGRM2EPHX2
SCHEMBL24034846 0.90 FFAR2 (0.34) SIGMAR1MCHR1PDE2AGRM2EPHX2
SCHEMBL24034785 0.88 SIGMAR1 (0.34) SIGMAR1MCHR1PDE2ACNR2GRM2
SCHEMBL24034780 0.87 PDE2A (0.32) SIGMAR1MCHR1PDE2AGRM2TRPA1
SCHEMBL24034886 0.87 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL26098150 0.87 MCHR1 (0.33) SIGMAR1MCHR1PDE2A
SCHEMBL24034827 0.86 L3MBTL1 (0.45) SIGMAR1MCHR1ALDH1A1SMN1; SMN2PDE2A
SCHEMBL24034756 0.86 MCHR1 (0.33) SIGMAR1MCHR1PDE2ACNR2

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 10 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
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
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
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 KMT2A 1504/4885SIGMAR1 145/4885MCHR1 452/4885

“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.