SCHEMBL21837738

SCHEMBL21837738

C=CCCC(=O)N(C)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ FOLH1 Q04609 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
SCHEMBL21837736 1.00 FAAH (0.43) FAAHKMT2AALOX5MGLLMEN1
SCHEMBL21837735 0.92 FAAH (0.47) FAAHKMT2AALOX5MGLLFOLH1
SCHEMBL21837733 0.92 FAAH (0.47) FAAHKMT2AALOX5MGLLFOLH1
SCHEMBL21837662 0.89 PPARG (0.40) FAAHRAB9AALDH1A1
SCHEMBL21837660 0.89 PPARG (0.40) FAAHRAB9AALDH1A1
SCHEMBL21952484 0.88 FAAH (0.41) FAAHKMT2AMGLL
SCHEMBL21837498 0.87 TAAR1 (0.40) KMT2AALOX5MEN1NPC1RAB9A
SCHEMBL30861806 0.87 TAAR1 (0.40) KMT2AALOX5MEN1NPC1RAB9A
SCHEMBL21837496 0.87 TAAR1 (0.40) KMT2AALOX5MEN1NPC1RAB9A
SCHEMBL21837752 0.87 SLC6A2 (0.42) ALDH1A1

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 6 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
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 2024/4885KMT2A 4201/4885ALOX5 3965/4885

“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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