SCHEMBL513747

SCHEMBL513747

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3noc(-c4ccsc4)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.37
GAA P10253 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL513264 0.88 GRM5 (0.44) GRM5POLBTP53CYP3A4GAA
SCHEMBL512774 0.87 GRM5 (0.45) GRM5POLBTP53CYP3A4GAA
SCHEMBL512815 0.84 GRM5 (0.48) GRM5POLBTP53CYP3A4GAA
SCHEMBL513234 0.84 GRM5 (0.42) GRM5POLBTP53CYP3A4GAA
SCHEMBL512323 0.84 GRM5 (0.48) GRM5POLBTP53CYP3A4GAA
SCHEMBL512792 0.84 RXFP1 (0.52) GRM5POLBTP53CYP3A4GAA
SCHEMBL512324 0.84 GRM5 (0.48) GRM5POLBTP53CYP3A4GAA
SCHEMBL512191 0.83 GRM5 (0.44) GRM5POLBTP53CYP3A4GAA
SCHEMBL512885 0.83 GRM5 (0.46) GRM5POLBTP53CYP3A4RXFP1
SCHEMBL512738 0.82 RXFP1 (0.43) GRM5POLBTP53CYP3A4GAA

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US claimed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 GRM5 2/4885POLB 2550/4885TP53 4779/4885

“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.