SCHEMBL4678545

SCHEMBL4678545

[CH2]CCCNC(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
ERN1 O75460 3/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TGM2 P21980 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
EPHX2 P34913 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL9547242 0.94 ERN1 (0.40) ACHEERN1HRH4HRH3TGM2
SCHEMBL3676772 0.88 TGM2 (0.46) ACHEERN1TGM2TSHREPHX2
SCHEMBL8832849 0.88 MEN1 (0.39) ACHEERN1HRH4HRH3MEN1
SCHEMBL24660419 0.86 HRH4 (0.49) ACHEERN1HRH4HRH3TGM2
SCHEMBL13055388 0.86 MAPT (0.42) ACHEERN1HRH4HRH3MEN1
SCHEMBL15809690 0.85 ACHE (0.46) ACHEERN1HRH4HRH3TGM2
SCHEMBL8833233 0.83 ACHE (0.40) ACHEERN1HRH4HRH3TGM2
SCHEMBL15109209 0.83 ALDH1A1 (0.46) ACHEERN1HRH4HRH3TGM2
SCHEMBL17489324 0.83 ACHE (0.40) ACHEERN1HRH4HRH3TGM2
SCHEMBL8769203 0.83 ACHE (0.63) ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP 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 (2 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ACHE 4434/4885ERN1 637/4885HRH4 1656/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS ACHE 4181/4885ERN1 3566/4885HRH4 470/4885

“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.