SCHEMBL512815

SCHEMBL512815

Cc1ccc([N+](=O)[O-])c(N2CCCC(=Cc3noc(-c4ccccc4)n3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
GAA P10253 2/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 2/20 0.42
S1PR1 P21453 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL512323 1.00 GRM5 (0.48) GRM5GAATP53RXFP1POLB
SCHEMBL512324 1.00 GRM5 (0.48) GRM5GAATP53RXFP1POLB
SCHEMBL512774 0.96 GRM5 (0.45) GRM5GAATP53RXFP1POLB
SCHEMBL513138 0.91 GRM5 (0.47) GRM5GAATP53RXFP1POLB
SCHEMBL513137 0.91 GRM5 (0.47) GRM5GAATP53RXFP1POLB
SCHEMBL513633 0.91 GRM5 (0.47) GRM5GAATP53RXFP1POLB
SCHEMBL513264 0.88 GRM5 (0.44) GRM5GAATP53POLBCYP3A4
SCHEMBL512792 0.88 RXFP1 (0.52) GRM5GAATP53RXFP1POLB
SCHEMBL513311 0.87 GRM5 (0.44) GRM5GAATP53RXFP1POLB
SCHEMBL512191 0.87 GRM5 (0.44) GRM5GAATP53RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885GAA 2812/4885TP53 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.