SCHEMBL21995157

SCHEMBL21995157

CN(C(=O)[C@@H](CC(=O)O)Cc1cccc[n+]1[O-])[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR5 P51681 1/20 0.34
MAOB P27338 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
KCNA3 P22001 1/20 0.32
MMP2 P08253 4/20 0.32
MMP3 P08254 2/20 0.32
BRD9 Q9H8M2 1/20 0.31
KLK5 Q9Y337 1/20 0.31
CACNA1B Q00975 1/20 0.31
ATM Q13315 1/20 0.31
CASP3 P42574 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL21994682 0.80 FFAR2 (0.33) KMT2ACCR5MMP2
SCHEMBL21994414 0.79 HDAC4 (0.34) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL21994413 0.79 HDAC4 (0.34) KMT2AL3MBTL1CCR5MAOBKDM1A
SCHEMBL21995458 0.76 EPHX1 (0.35) KMT2AL3MBTL1MAOBMAOAHDAC4
SCHEMBL21995460 0.76 EPHX1 (0.35) KMT2AL3MBTL1MAOBMAOAHDAC4
SCHEMBL21994918 0.76 BTK (0.33) KMT2AL3MBTL1MAOBMAOA
SCHEMBL21994629 0.76 CTSK (0.39) MAOBMAOAKCNA3
SCHEMBL21994631 0.76 CTSK (0.39) MAOBMAOAKCNA3
SCHEMBL21994916 0.76 BTK (0.33) KMT2AL3MBTL1MAOBMAOA
SCHEMBL30191412 0.74 SIGMAR1 (0.32)

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 KMT2A 3622/4885L3MBTL1 1682/4885CCR5 3425/4885

“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.