SCHEMBL4946594

SCHEMBL4946594

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
HRH3 Q9Y5N1 7/20 0.33
HTT P42858 1/20 0.32
MAP2K7 O14733 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL4661176 0.90
SCHEMBL5484814 0.90
SCHEMBL4947107 0.90
SCHEMBL5488258 0.79 HPGD (0.49) ALDH1A1HPGD
SCHEMBL5488264 0.79
SCHEMBL5488262 0.79
SCHEMBL4659074 0.73 KDM4E (0.33) ALDH1A1EGFR
SCHEMBL4630301 0.73 POLB (0.40) ALDH1A1LMNA
SCHEMBL23878062 0.71 LMNA (0.30) TSHRLMNA
SCHEMBL20744036 0.71 CHRNA7 (0.50) ALDH1A1HRH3

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-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 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-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 ALDH1A1 564/4885TSHR 780/4885HPGD 1872/4885

“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.