SCHEMBL513465

SCHEMBL513465

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3cc4ccc(F)cc4[nH]3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.46
CYP3A4 P08684 1/20 0.39
MAPT P10636 4/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.31
S1PR4 O95977 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
SCHEMBL3777208 0.75 GRM5 (0.47) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3708913 0.75 GRM5 (0.47) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL513331 0.75 GRM5 (0.47) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3638426 0.74 GRM5 (0.60) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3766932 0.73 GRM5 (0.45) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL3710206 0.73 GRM5 (0.45) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512866 0.73 GRM5 (0.48) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512738 0.72 RXFP1 (0.43) GRM5CYP3A4POLB
SCHEMBL3644596 0.72 GRM5 (0.64) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL513099 0.72 GRM5 (0.44) GRM5CYP3A4MAPTMAPK1ALDH1A1

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 2/4885CYP3A4 1085/4885MAPT 2573/4885

“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.