SCHEMBL6166891

SCHEMBL6166891

O=C(O)CN(C(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.46
CCR5 P51681 4/20 0.46
SIGMAR1 Q99720 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7801189 0.94 ENPP2 (0.55) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL190556 0.93 ENPP2 (0.57) ENPP2PTGDR2CCR5SIGMAR1ALDH1A1
SCHEMBL22285161 0.93 ENPP2 (0.57) ENPP2PTGDR2CCR5SIGMAR1ALDH1A1
SCHEMBL4785540 0.90 ALDH1A1 (0.50) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL4964527 0.89 CCR5 (0.47) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL1162705 0.88 ENPP2 (0.42) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL13434086 0.85 CCR5 (0.59) CCR5SIGMAR1ALDH1A1L3MBTL1
SCHEMBL28523905 0.85 ENPP2 (0.51) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL14975918 0.85 CCR5 (0.46) ENPP2PTGDR2CCR5SIGMAR1CHRM2
SCHEMBL32691106 0.84 CCR6 (0.46) ENPP2PTGDR2CCR5SIGMAR1CHRM2

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-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4043478-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITING ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-08-17 EP 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-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 EP disclosed
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed
EP-0002822-A1 Phosphorus containing peptide derivatives, their production, intermediates for their production and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 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 (3 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 ENPP2 1461/4885PTGDR2 3740/4885CCR5 1349/4885
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ENPP2 1461/4885PTGDR2 3740/4885CCR5 1349/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS ENPP2 1461/4885PTGDR2 3740/4885CCR5 1349/4885

“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.