SCHEMBL23512306

SCHEMBL23512306

CNCc1ccc(-c2ccc(C[C@@H]3NC(=O)[C@]4(Cc5ccccc5)CCCN(C4)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc4ccccc4CNC3=O)cc2)cc1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPIE Q9UNP9 1/20 0.92
▸ ANPEP P15144 1/20 0.32
▸ LNPEP Q9UIQ6 1/20 0.32
▸ SLC40A1 Q9NP59 2/20 0.31
▸ GHSR Q92847 1/20 0.30

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
SCHEMBL23512388 0.96 PPIE (1.00) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL23512904 0.95 PPIE (0.91) PPIESLC40A1
SCHEMBL25146703 0.95 PPIE (0.96) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL23512300 0.95 PPIE (0.96) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL23512635 0.94 PPIE (0.95) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL25146936 0.94 PPIE (0.95) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL25146723 0.94 PPIE (0.95) PPIEANPEPLNPEPSLC40A1GHSR
SCHEMBL23512451 0.94 PPIE (0.92) PPIESLC40A1GHSR
SCHEMBL23512315 0.94 PPIE (0.92) PPIESLC40A1GHSR
SCHEMBL23512553 0.94 PPIE (0.92) PPIEANPEPLNPEPSLC40A1GHSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 — — US disclosed
WO-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 — — WO 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 PPIE 7/4885ANPEP 3615/4885LNPEP 4291/4885

“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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