SCHEMBL21978041

SCHEMBL21978041

CN(C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[C@@H](CC(=O)O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.36
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
FFAR2 O15552 2/20 0.34
NPY5R Q15761 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL21978042 1.00 CASP3 (0.36) CASP3FABP5FABP7OPRM1OPRD1
SCHEMBL21978457 0.89 CASP3 (0.36) CASP3FABP5FABP7FFAR2NPY5R
SCHEMBL21978458 0.89 CASP3 (0.36) CASP3FABP5FABP7FFAR2NPY5R
SCHEMBL30065486 0.87 CASP3 (0.42) CASP3FABP5FABP7NPY5RKMT2A
SCHEMBL21994848 0.87 CASP3 (0.42) CASP3FABP5FABP7NPY5RKMT2A
SCHEMBL21994849 0.87 CASP3 (0.42) CASP3FABP5FABP7NPY5RKMT2A
SCHEMBL21978083 0.87 CASP3 (0.35) CASP3FABP5FABP7OPRK1NPY5R
SCHEMBL21978081 0.87 CASP3 (0.35) CASP3FABP5FABP7OPRK1NPY5R
SCHEMBL21978082 0.87 CASP3 (0.35) CASP3FABP5FABP7OPRK1NPY5R
SCHEMBL21978801 0.85 CASP3 (0.33) CASP3FABP5FABP7NPY5RKMT2A

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
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2021-06-08 US disclosed
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-05-28 US 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 (4 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-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 CASP3 397/4885FABP5 3379/4885FABP7 3488/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CASP3 397/4885FABP5 3379/4885FABP7 3488/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CASP3 397/4885FABP5 3379/4885FABP7 3488/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 CASP3 397/4885FABP5 3379/4885FABP7 3488/4885

“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.