SCHEMBL24034890

SCHEMBL24034890

Cn1nnc(-c2ccc(F)cc2F)c1CO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 7/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
GRM2 Q14416 2/20 0.37
MDM4 O15151 1/20 0.37
GCGR P47871 1/20 0.35
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
GRM5 P41594 1/20 0.34
SLC34A1 Q06495 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ADORA2A P29274 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
SCHEMBL24034836 0.86 GRM2 (0.41) MAPK14GRM2SIGMAR1
SCHEMBL24034845 0.83 HSD11B1 (0.43) GRM2
SCHEMBL30111784 0.83 HSD11B1 (0.43) GRM2
SCHEMBL2687426 0.82 DHODH (0.38) TP53
SCHEMBL2687825 0.78 CSNK1D (0.43) NPC1RAB9AMAPK14CSNK1DCSNK1E
SCHEMBL26134747 0.77 DPP4 (0.36) DPP4NPC1RAB9AMAPK14TP53
SCHEMBL15543675 0.75 CCNC (0.41) MAPK14GCGRGRM5
SCHEMBL2689815 0.73 TRPV3 (0.36) MAPK14CSNK1DCSNK1EGRM5SLC34A1
SCHEMBL28906200 0.72 ALPL (0.48) NPC1RAB9AMAPK14GRM5SLC34A1
SCHEMBL31617643 0.70 SLC34A1 (0.42) DPP4GRM5SLC34A1ADORA2A

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 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 DPP4 1724/4885NPC1 2135/4885RAB9A 1412/4885

“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.