SCHEMBL513438

SCHEMBL513438

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3cc(-c4cccs4)n(C)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
CYP3A4 P08684 1/20 0.39
GBA1 P04062 7/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR6 P50406 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EED O75530 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL513168 0.83 GRM5 (0.42) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL512836 0.83 DCTPP1 (0.37) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL514229 0.82 GRM5 (0.44) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL512205 0.82 GRM5 (0.42) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL513213 0.81 GRM5 (0.42) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL512730 0.79 GRM5 (0.45) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL513234 0.78 GRM5 (0.42) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL513343 0.78 GRM5 (0.42) GRM5CYP3A4GBA1ALDH1A1MAPT
SCHEMBL512328 0.76 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512736 0.73 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1

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 1085/4885GBA1 1218/4885

“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.