SCHEMBL512661

SCHEMBL512661

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3nnc(-c4ccccc4)o3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.47
CYP3A4 P08684 1/20 0.42
MAPT P10636 6/20 0.39
RAB9A P51151 3/20 0.39
THRB P10828 1/20 0.39
POLB P06746 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
METAP2 P50579 1/20 0.37
LMNA P02545 2/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL514979 0.87 GRM5 (0.48) GRM5CYP3A4MAPTRAB9APOLB
SCHEMBL512730 0.86 GRM5 (0.45) GRM5CYP3A4MAPTRAB9ATHRB
SCHEMBL512667 0.85 GRM5 (0.48) GRM5CYP3A4MAPTPOLBALDH1A1
SCHEMBL513812 0.83 GRM5 (0.45) GRM5CYP3A4MAPTRAB9APOLB
SCHEMBL512774 0.83 GRM5 (0.45) GRM5CYP3A4MAPTPOLB
SCHEMBL512243 0.81 GRM5 (0.46) GRM5CYP3A4MAPTRAB9APOLB
SCHEMBL512323 0.81 GRM5 (0.48) GRM5CYP3A4MAPTPOLBALDH1A1
SCHEMBL512324 0.81 GRM5 (0.48) GRM5CYP3A4MAPTPOLBALDH1A1
SCHEMBL512815 0.81 GRM5 (0.48) GRM5CYP3A4MAPTPOLBALDH1A1
SCHEMBL513301 0.79 GRM5 (0.44) GRM5CYP3A4MAPTPOLBALDH1A1

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.