SCHEMBL4661655

SCHEMBL4661655

O=C(O)N1CCN2[C@@H](CC[C@@H]2C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4660532 1.00 GRM5 (0.43) GRM5NOTUML3MBTL1KDM4EALDH1A1
SCHEMBL4663256 0.94 GRM5 (0.45) GRM5NOTUML3MBTL1KDM4EALDH1A1
SCHEMBL5485386 0.87 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5487679 0.87 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5488717 0.86 GRM5 (0.53) GRM5ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5478827 0.86 GRM5 (0.53) GRM5ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL4663129 0.84 GRM5 (0.41) GRM5NOTUMALDH1A1CYP3A4MEN1
SCHEMBL4760667 0.83 GRM5 (0.41) GRM5NOTUML3MBTL1KDM4EALDH1A1
SCHEMBL4757957 0.81 GRM5 (0.39) GRM5NOTUML3MBTL1KDM4EALDH1A1
SCHEMBL5485699 0.80 GRM5 (0.52) GRM5KDM4ECYP3A4MEN1KMT2A

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 5 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 claimed
EP-1919915-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP claimed
WO-2007021575-A2 ACETYLENIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-08-14 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 GRM5 2/4885NOTUM 2938/4885L3MBTL1 3684/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 GRM5 2/4885NOTUM 2938/4885L3MBTL1 3684/4885

“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.