SCHEMBL4251832

SCHEMBL4251832

COC(=O)OC(C#Cc1cccc(C)n1)C1CCN(C2([N+](=O)[O-])C=CC=CN2)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.36
CYP1A2 P05177 5/20 0.34
OGA O60502 1/20 0.32
CYP3A4 P08684 2/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL4254700 0.76 GRM5 (0.44) GRM5CYP1A2OGACYP3A4CACNA1C
SCHEMBL3638481 0.74 GRM5 (0.56) GRM5CYP1A2CYP3A4
SCHEMBL3642385 0.72 GRM5 (0.55) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3641185 0.64 GRM5 (0.60) GRM5CYP1A2CYP3A4
SCHEMBL4256707 0.62 GRM5 (0.43) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL6708173 0.60
SCHEMBL3576250 0.60 SIRT6 (0.31)
SCHEMBL3643599 0.59 GRM5 (0.59) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3641418 0.59 GRM5 (0.61) GRM5CYP1A2CYP3A4
SCHEMBL17477139 0.59

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-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US claimed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 GRM5 1/4885CYP1A2 3224/4885OGA 1995/4885

“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.