SCHEMBL21837752

SCHEMBL21837752

C=CCCC(=O)N(C)[C@@H](CCc1ccccc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.38
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ PLAAT3 P53816 1/20 0.34
▸ PLAAT5 Q96KN8 1/20 0.34
▸ PLAAT2 Q9NWW9 1/20 0.34
▸ PLAAT4 Q9UL19 1/20 0.34
▸ SLC1A5 Q15758 1/20 0.34
▸ CCR5 P51681 1/20 0.34

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
SCHEMBL21837755 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TAAR1BCHE
SCHEMBL30861846 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TAAR1BCHE
SCHEMBL21837736 0.87 FAAH (0.43) ALDH1A1
SCHEMBL21837738 0.87 FAAH (0.43) ALDH1A1
SCHEMBL21837662 0.83 PPARG (0.40) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21837660 0.83 PPARG (0.40) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21895988 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3TAAR1BCHE
SCHEMBL28362263 0.83 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3TAAR1BCHE
SCHEMBL21837498 0.82 TAAR1 (0.40) TAAR1AOC3ALDH1A1PLAAT3PLAAT5
SCHEMBL21837496 0.82 TAAR1 (0.40) TAAR1AOC3ALDH1A1PLAAT3PLAAT5

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 7 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
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
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 SLC6A2 464/4885SLC6A4 32/4885SLC6A3 472/4885

“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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