SCHEMBL23512323

SCHEMBL23512323

COc1ccc(C[C@@H]2NC(=O)[C@]3(Cc4ccccc4)CCCN(C3)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc3ccccc3CNC2=O)cc1

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPIE Q9UNP9 1/20 0.90
▸ CACNA1G O43497 1/20 0.32
▸ SLC40A1 Q9NP59 2/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ AVPR2 P30518 2/20 0.31
▸ PCSK9 Q8NBP7 2/20 0.30
▸ LDLR P01130 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ LNPEP Q9UIQ6 1/20 0.30
▸ IDE P14735 3/20 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
SCHEMBL23512315 0.99 PPIE (0.92) PPIECACNA1GSLC40A1GHSRAVPR2
SCHEMBL23512300 0.96 PPIE (0.96) PPIESLC40A1GHSRANPEPLNPEP
SCHEMBL23512638 0.95 PPIE (0.94) PPIESLC40A1GHSRANPEPLNPEP
SCHEMBL23512388 0.95 PPIE (1.00) PPIESLC40A1GHSRANPEPLNPEP
SCHEMBL25146701 0.94 PPIE (0.89) PPIESLC40A1AVPR2ANPEPLNPEP
SCHEMBL23512301 0.94 PPIE (0.93) PPIESLC40A1ANPEPLNPEPIDE
SCHEMBL23512390 0.94 PPIE (0.93) PPIESLC40A1GHSRANPEPLNPEP
SCHEMBL23512553 0.94 PPIE (0.92) PPIESLC40A1GHSRANPEPLNPEP
SCHEMBL23512496 0.94 PPIE (0.92) PPIESLC40A1GHSRIDE
SCHEMBL23512322 0.94 PPIE (0.92) PPIESLC40A1GHSRANPEPLNPEP

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 7/4885CACNA1G 3096/4885SLC40A1 1351/4885

“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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