SCHEMBL4659074

SCHEMBL4659074

O=CC1CCC[C@H]2CN(C(=O)O)CCN12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 1/20 0.31
CHRM1 P11229 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
SCHEMBL4760346 0.90
SCHEMBL4630301 0.77 POLB (0.40) KDM4EALDH1A1CHRM1
SCHEMBL4946594 0.73 ALDH1A1 (0.34) ALDH1A1EGFR
SCHEMBL14306648 0.73
SCHEMBL4878901 0.70 POLB (0.34)
SCHEMBL4664823 0.70 POLB (0.34)
SCHEMBL4480192 0.69 POLB (0.33)
SCHEMBL13991703 0.69 MEN1 (0.45) ALDH1A1CHRM1
SCHEMBL23878056 0.68
SCHEMBL2421426 0.68 HPGD (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1919915-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007021575-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists GRM1, GRM5, GRIN1 KDM4E 2631/4885ALDH1A1 564/4885EGFR 1626/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 KDM4E 2631/4885ALDH1A1 564/4885EGFR 1626/4885

“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.