SCHEMBL21837409

SCHEMBL21837409

C=CCCC(=O)N(C)C(COCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ SLC1A1 P43005 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ FOLH1 Q04609 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL21837406 1.00 FAAH (0.41) FAAHSLC1A1S1PR1FOLH1MAOB
SCHEMBL21837928 0.85 FAAH (0.37) FAAHS1PR1MAOBHTTNPSR1
SCHEMBL21837931 0.85 FAAH (0.37) FAAHS1PR1MAOBHTTNPSR1
SCHEMBL21837736 0.81 FAAH (0.43) FAAHFOLH1
SCHEMBL21837738 0.81 FAAH (0.43) FAAHFOLH1
SCHEMBL19836930 0.80 SLC1A1 (0.51) SLC1A1FOLH1MAOBCA1CA2
SCHEMBL19836929 0.80 SLC1A1 (0.51) SLC1A1FOLH1MAOBCA1CA2
SCHEMBL21837733 0.79 FAAH (0.47) FAAHFOLH1
SCHEMBL21837735 0.79 FAAH (0.47) FAAHFOLH1
SCHEMBL21895978 0.78 CNR1 (0.34) —

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
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 — — CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 — — CN disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 — — CN 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 FAAH 2024/4885SLC1A1 367/4885S1PR1 1357/4885

“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.

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