SCHEMBL5485699

SCHEMBL5485699

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.52
CYP3A4 P08684 3/20 0.52
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14611633 1.00 GRM5 (0.52) GRM5CYP3A4MEN1KMT2ACYP1A2
SCHEMBL5488717 0.94 GRM5 (0.53) GRM5CYP3A4MEN1KMT2ACYP1A2
SCHEMBL5478827 0.94 GRM5 (0.53) GRM5CYP3A4MEN1KMT2ACYP1A2
SCHEMBL14088779 0.88 GRM5 (0.47) GRM5MEN1KMT2AMAPT
SCHEMBL4663256 0.86 GRM5 (0.45) GRM5KMT2AKDM4E
SCHEMBL5485386 0.84 GRM5 (0.55) GRM5CYP3A4
SCHEMBL5487679 0.84 GRM5 (0.55) GRM5CYP3A4
SCHEMBL4661655 0.80 GRM5 (0.43) GRM5CYP3A4MEN1KMT2AKDM4E
SCHEMBL4660532 0.80 GRM5 (0.43) GRM5CYP3A4MEN1KMT2AKDM4E
SCHEMBL4663129 0.76 GRM5 (0.41) GRM5CYP3A4MEN1KMT2ACHRM1

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-20070037817-A1 Acetylenic piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US claimed
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
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 GRM5 2/4885CYP3A4 3882/4885MEN1 2987/4885
US-20080194571-A1 Acetylenic Piperazines as Metabotropic Glutamate Receptor Antagonists GRM1, GRM5, GRIN1 GRM5 2/4885CYP3A4 3882/4885MEN1 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.