SCHEMBL513331

SCHEMBL513331

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nc4ccccc4[nH]3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
DRD4 P21917 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HTR3A P46098 2/20 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
SCHEMBL513719 0.79 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTPOLB
SCHEMBL513105 0.79 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL512243 0.79 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL513081 0.76 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL513354 0.76 GRM5 (0.47) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL512762 0.76 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL513262 0.76 GRM5 (0.47) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL512619 0.75 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL513465 0.75 GRM5 (0.46) GRM5CYP3A4ALDH1A1MAPTLMNA
SCHEMBL3775736 0.74 GRM5 (0.49) GRM5CYP3A4ALDH1A1MAPTLMNA

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
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
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 1085/4885ALDH1A1 2610/4885

“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.