SCHEMBL5488258

SCHEMBL5488258

C#C[C@H]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CCN21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
FPR2 P25090 2/20 0.42
RECQL P46063 1/20 0.41
PREP P48147 2/20 0.40
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL13991706 0.92 HPGD (0.48) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL14088836 0.92 HPGD (0.48) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL22720333 0.81 HPGD (0.47) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL4946594 0.79 ALDH1A1 (0.34) HPGDALDH1A1
SCHEMBL14088839 0.78 MEN1 (0.46) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL14088830 0.78 MEN1 (0.46) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2797597 0.77 HPGD (0.44) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2799529 0.77 HPGD (0.44) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2797599 0.77 HPGD (0.44) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL21005590 0.76 ALDH1A1 (0.46) HPGDALDH1A1MEN1MAPTKMT2A

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 6 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
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 US 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
US-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US 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 HPGD 1872/4885ALDH1A1 564/4885MEN1 2987/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 HPGD 1872/4885ALDH1A1 564/4885MEN1 2987/4885

“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.