SCHEMBL513719

SCHEMBL513719

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nc4ccccc4n3C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.48
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 6/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL513331 0.79 GRM5 (0.47) GRM5CYP3A4ALDH1A1RAB9AADAMTS5
SCHEMBL512243 0.78 GRM5 (0.46) GRM5CYP3A4ALDH1A1RAB9AADAMTS5
SCHEMBL513105 0.78 GRM5 (0.46) GRM5CYP3A4ALDH1A1RAB9AADAMTS5
SCHEMBL513262 0.75 GRM5 (0.47) GRM5CYP3A4ALDH1A1RAB9AKMT2A
SCHEMBL512619 0.74 GRM5 (0.46) GRM5CYP3A4ALDH1A1RAB9AKMT2A
SCHEMBL3720958 0.74 GRM5 (0.49) GRM5CYP3A4ALDH1A1RAB9AKDM4E
SCHEMBL3775736 0.74 GRM5 (0.49) GRM5CYP3A4ALDH1A1RAB9AKDM4E
SCHEMBL512762 0.73 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512661 0.73 GRM5 (0.47) GRM5CYP3A4ALDH1A1RAB9AKDM4E
SCHEMBL513354 0.73 GRM5 (0.47) GRM5CYP3A4ALDH1A1KMT2AMEN1

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
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 1085/4885ALDH1A1 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.