SCHEMBL21994796

SCHEMBL21994796

[2H]C([2H])([2H])N(Cc1ncc(-c2ccc(Oc3cc(Cl)ccc3C=O)cc2)n1C)C([2H])([2H])[2H]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
GFER P55789 1/20 0.34
USP2 O75604 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SRC P12931 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ACHE P22303 1/20 0.30
PPARG P37231 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
SCHEMBL21994667 0.93 SLC6A2 (0.37) MAPTGAAGFERUSP2TP53
SCHEMBL21978392 0.85 GAA (0.38) MAPTGAAGFERTP53MAPK1
SCHEMBL21978579 0.83 GAA (0.35) MAPTGAAGFERUSP2TP53
SCHEMBL21979061 0.83 GAA (0.35) MAPTGAATP53PCSK9SLC6A2
SCHEMBL30191584 0.82 SLC6A4 (0.36) MAPTGAASLC6A2SLC6A4SLC6A3
SCHEMBL21978708 0.82 PCSK9 (0.40) PCSK9SLC6A2SLC6A4SLC6A3
SCHEMBL21978548 0.82 ATM (0.37) MAPTGAAGFERUSP2TP53
SCHEMBL31326522 0.82 ATM (0.37) MAPTGAAGFERUSP2TP53
SCHEMBL22035323 0.82 SLC6A4 (0.38) MAPTGAAGFERSLC6A2SLC6A4
SCHEMBL30191390 0.82 SLC6A4 (0.38) MAPTGAAGFERSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 MAPT 321/4885GAA 1127/4885GFER 2169/4885

“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.