SCHEMBL4254047

SCHEMBL4254047

Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3cccc(-c4nc(C)no4)c3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.56
CYP3A4 P08684 1/20 0.51
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL3642139 0.83 GRM5 (0.62) GRM5CYP3A4
SCHEMBL3638810 0.80 GRM5 (0.60) GRM5CYP3A4
SCHEMBL3644327 0.79 GRM5 (0.60) GRM5CYP3A4
SCHEMBL133741 0.79 TP53 (0.42) GRM5TP53POLBRXFP1GAA
SCHEMBL3644183 0.78 GRM5 (0.57) GRM5CYP3A4
SCHEMBL3644794 0.78 GRM5 (0.57) GRM5CYP3A4
SCHEMBL3644596 0.78 GRM5 (0.64) GRM5CYP3A4POLB
SCHEMBL4264949 0.78 GRM5 (0.56) GRM5CYP3A4
SCHEMBL3642555 0.78 GRM5 (0.80) GRM5CYP3A4
SCHEMBL513066 0.77 GRM5 (0.43) GRM5CYP3A4TP53POLBRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CYP3A4 2602/4885TP53 4863/4885

“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.