SCHEMBL513105

SCHEMBL513105

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nc4ccccc4s3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADAMTS5 Q9UNA0 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
SCHEMBL513262 0.83 GRM5 (0.47) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL513142 0.80 GRM5 (0.44) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL513331 0.79 GRM5 (0.47) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL513719 0.78 GRM5 (0.48) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL512243 0.78 GRM5 (0.46) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL512328 0.75 GRM5 (0.48) GRM5ALDH1A1MAPTMAPK1LMNA
SCHEMBL514921 0.75 DRD2 (0.38) GRM5ALDH1A1MAPTRAB9AMEN1
SCHEMBL512736 0.74 GRM5 (0.45) GRM5ALDH1A1MAPTMAPK1LMNA
SCHEMBL512619 0.74 GRM5 (0.46) GRM5ALDH1A1MAPTRAB9AKMT2A
SCHEMBL513301 0.74 GRM5 (0.44) GRM5ALDH1A1MAPTMAPK1CYP3A4

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 2 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
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 2/4885ALDH1A1 2610/4885MAPT 2573/4885

“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.