SCHEMBL23658209

SCHEMBL23658209

CCCCCCC(CN)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
CA1 P00915 1/20 0.61
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
DNM1 Q05193 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
FFAR1 O14842 1/20 0.45
EPHX1 P07099 1/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
LAP3 P28838 1/20 0.42

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
SCHEMBL4412128 0.91 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL80651 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL4658540 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL10866230 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2481659 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL3235440 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2089080 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL16098865 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL20746502 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL10866159 0.89 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2

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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 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-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 CA2 4668/4885CA1 4849/4885GRIK1 3762/4885

“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.