SCHEMBL21837496

SCHEMBL21837496

C=CCCC(=O)N(C)[C@@H](CCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PLAAT3 P53816 2/20 0.37
▸ PLAAT5 Q96KN8 2/20 0.37
▸ PLAAT2 Q9NWW9 2/20 0.37
▸ PLAAT4 Q9UL19 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC1A5 Q15758 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALOX5 P09917 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
SCHEMBL30861806 1.00 TAAR1 (0.40) TAAR1ALDH1A1KMT2AAOC3SMN1; SMN2
SCHEMBL21837498 1.00 TAAR1 (0.40) TAAR1ALDH1A1KMT2AAOC3SMN1; SMN2
SCHEMBL21837815 0.89 OPRM1 (0.40) AOC3ALOX5
SCHEMBL16288578 0.89 OPRM1 (0.40) AOC3ALOX5
SCHEMBL21837738 0.87 FAAH (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21837736 0.87 FAAH (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21837662 0.86 PPARG (0.40) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21837660 0.86 PPARG (0.40) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21895987 0.84 TAAR1 (0.34) TAAR1AOC3FFAR1FFAR4ALOX5
SCHEMBL28362176 0.84 TAAR1 (0.34) TAAR1AOC3FFAR1FFAR4ALOX5

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 TAAR1 2004/4885ALDH1A1 4817/4885KMT2A 4201/4885

“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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