SCHEMBL21994952

SCHEMBL21994952

CNC(CNC(=O)CC(Cc1ccc(Cl)cc1)N(C)C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
KLK5 Q9Y337 1/20 0.36
NOS2 P35228 2/20 0.35
GAA P10253 1/20 0.35
OPRK1 P41145 4/20 0.34
OPRM1 P35372 3/20 0.34
CACNA1B Q00975 1/20 0.34
OPRD1 P41143 1/20 0.34
REN P00797 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21994950 1.00 ADORA1 (0.38) ADORA1KLK5NOS2GAAOPRK1
SCHEMBL28624622 0.91 PPARG (0.39) ADORA1GAAOPRK1OPRM1OPRD1
SCHEMBL22035319 0.79 GAA (0.40) ADORA1GAAOPRK1OPRD1PPARG
SCHEMBL21994442 0.79 CA2 (0.40) ADORA1KLK5OPRK1OPRM1REN
SCHEMBL21994445 0.79 CA2 (0.40) ADORA1KLK5OPRK1OPRM1REN
SCHEMBL21994341 0.78 MAOB (0.41) ADORA1GAAPPARGPPARAKMT2A
SCHEMBL21994342 0.78 MAOB (0.41) ADORA1GAAPPARGPPARAKMT2A
SCHEMBL8362441 0.76 ADORA1 (0.51) ADORA1NOS2GAARENPPARG
SCHEMBL8362444 0.76 ADORA1 (0.51) ADORA1NOS2GAARENPPARG
SCHEMBL23771482 0.75 ADORA1 (0.38) ADORA1GAAOPRK1OPRM1OPRD1

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 ADORA1 1900/4885KLK5 490/4885NOS2 2539/4885

“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.