SCHEMBL512191

SCHEMBL512191

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3noc(-c4cccnc4)n3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
MAPK1 P28482 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNA5 P30532 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 4/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL512774 0.90 GRM5 (0.45) GRM5CYP3A4TP53POLBGAA
SCHEMBL513264 0.89 GRM5 (0.44) GRM5CYP3A4NPC1RAB9ATP53
SCHEMBL512324 0.87 GRM5 (0.48) GRM5MAPK1CYP3A4TP53POLB
SCHEMBL512323 0.87 GRM5 (0.48) GRM5MAPK1CYP3A4TP53POLB
SCHEMBL512815 0.87 GRM5 (0.48) GRM5MAPK1CYP3A4TP53POLB
SCHEMBL512792 0.87 RXFP1 (0.52) GRM5MAPK1CYP3A4NPC1RAB9A
SCHEMBL512738 0.85 RXFP1 (0.43) GRM5CYP3A4TP53POLBGAA
SCHEMBL513066 0.85 GRM5 (0.43) GRM5MAPK1CYP3A4NPC1RAB9A
SCHEMBL513138 0.85 GRM5 (0.47) GRM5CYP3A4TP53POLBGAA
SCHEMBL513137 0.85 GRM5 (0.47) GRM5CYP3A4TP53POLBGAA

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 2/4885MAPK1 3316/4885CHRNB2 83/4885

“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.