SCHEMBL513314

SCHEMBL513314

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nc(-c4cccc(Cl)c4)no3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 10/20 0.43
CYP3A4 P08684 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL513812 0.89 GRM5 (0.45) NPC1MAPTHPGDRAB9AGRM5
SCHEMBL513066 0.84 GRM5 (0.43) NPC1MAPTHPGDRAB9ALMNA
SCHEMBL513914 0.82 GRM5 (0.41) NPC1MAPTSMN1; SMN2GRM5TP53
SCHEMBL512658 0.81 GRM5 (0.48) MAPTLMNAMAPK1GRM5CYP3A4
SCHEMBL513343 0.81 GRM5 (0.42) NPC1MAPTRAB9ALMNAMAPK1
SCHEMBL514928 0.78 GRM5 (0.46) MAPTLMNAMAPK1GRM5CYP3A4
SCHEMBL512878 0.76 GRM5 (0.44) MAPTLMNAMAPK1GRM5CYP3A4
SCHEMBL513301 0.76 GRM5 (0.44) MAPTMAPK1GRM5CYP3A4RXFP1
SCHEMBL512866 0.76 GRM5 (0.48) MAPTLMNAMAPK1GRM5CYP3A4
SCHEMBL512792 0.76 RXFP1 (0.52) NPC1MAPTHPGDRAB9ALMNA

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 NPC1 4017/4885MAPT 2573/4885HPGD 1718/4885

“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.