SCHEMBL22375504

SCHEMBL22375504

CCC(=O)C(C)C[C@H](CCCCNC(=O)CCCCN=[N+]=[N-])NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.32
▸ HPSE Q9Y251 2/20 0.31
▸ PLA2G10 O15496 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FAAH O00519 2/20 0.30
▸ CASP2 P42575 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL20980415 0.89 — —
SCHEMBL20980404 0.78 — —
SCHEMBL20980230 0.77 ALB (0.38) ALBHPSECNR2
SCHEMBL21465910 0.74 ALB (0.39) ALBMEN1KMT2AFAAHCASP2
SCHEMBL17742900 0.71 ALDH1A1 (0.42) ALBHPSEMEN1KMT2AFAAH
SCHEMBL22375760 0.71 ADRB2 (0.31) CNR2
SCHEMBL17122488 0.71 CASP2 (0.56) FAAHCASP2
SCHEMBL18089125 0.70 FAAH (0.46) FAAHCASP2
SCHEMBL17881973 0.70 CASP2 (0.42) HPSEFAAHCASP2
SCHEMBL18880055 0.70 CPB2 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268898-A1 GLP-1 RECEPTOR LIGAND MOIETY CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC. 2020-08-27 — — US 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-20200268898-A1 GLP-1 RECEPTOR LIGAND MOIETY CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF GLP1R, GIPR, GRPR ALB 4026/4885HPSE 1484/4885PLA2G10 2760/4885

“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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