SCHEMBL4760667

SCHEMBL4760667

O=C(C#Cc1cccc(Cl)c1)[C@H]1CC[C@H]2CN(C(=O)O)CCN21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.41
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
NOTUM Q6P988 1/20 0.36
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
AKR1C3 P42330 1/20 0.34

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
SCHEMBL13991723 0.85 GRM5 (0.48) GRM5CYP3A4
SCHEMBL4661655 0.83 GRM5 (0.43) GRM5ALDH1A1L3MBTL1KDM4ECYP3A4
SCHEMBL4660532 0.83 GRM5 (0.43) GRM5ALDH1A1L3MBTL1KDM4ECYP3A4
SCHEMBL4757957 0.80 GRM5 (0.39) GRM5ALDH1A1L3MBTL1KDM4ECYP3A4
SCHEMBL4663256 0.80 GRM5 (0.45) GRM5ALDH1A1L3MBTL1KDM4ENOTUM
SCHEMBL5487679 0.72 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5485386 0.72 GRM5 (0.55) GRM5CYP3A4
SCHEMBL1581685 0.70 GRM5 (0.43) GRM5CYP3A4NOTUM
SCHEMBL5478827 0.70 GRM5 (0.53) GRM5ALDH1A1CYP3A4
SCHEMBL5488717 0.70 GRM5 (0.53) GRM5ALDH1A1CYP3A4

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-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1919911-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007021574-A1 BICYCLIC PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate 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-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists GRM5, GRM1, GRIN1 GRM5 1/4885ALDH1A1 769/4885L3MBTL1 3673/4885
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists GRM5, GRM1, GRIN1 GRM5 1/4885ALDH1A1 769/4885L3MBTL1 3673/4885

“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.