SCHEMBL513142

SCHEMBL513142

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3cc4sc5ccccc5c4s3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.44
CYP3A4 P08684 1/20 0.41
MAPT P10636 7/20 0.36
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
EED O75530 1/20 0.35
PSMD14 O00487 1/20 0.35
APAF1 O14727 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.33
GPR35 Q9HC97 1/20 0.33

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 0.86 GRM5 (0.47) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL513105 0.80 GRM5 (0.46) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512619 0.74 GRM5 (0.46) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512878 0.74 GRM5 (0.44) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512866 0.73 GRM5 (0.48) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512328 0.73 GRM5 (0.48) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL513331 0.73 GRM5 (0.47) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512774 0.72 GRM5 (0.45) GRM5CYP3A4MAPTPOLB
SCHEMBL512736 0.72 GRM5 (0.45) GRM5CYP3A4MAPTMAPK1ALDH1A1
SCHEMBL512243 0.72 GRM5 (0.46) GRM5CYP3A4MAPTMAPK1ALDH1A1

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 2/4885CYP3A4 1085/4885MAPT 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.