SCHEMBL512762

SCHEMBL512762

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3cn(-c4ccccc4)nn3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
CYP3A4 P08684 2/20 0.42
P2RX7 Q99572 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EED O75530 1/20 0.34

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
SCHEMBL513437 0.84 GRM5 (0.57) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL513081 0.82 GRM5 (0.45) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL513354 0.80 GRM5 (0.47) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL512736 0.78 GRM5 (0.45) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL512878 0.77 GRM5 (0.44) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL512661 0.77 GRM5 (0.47) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL512328 0.76 GRM5 (0.48) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL513331 0.76 GRM5 (0.47) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL3720958 0.75 GRM5 (0.49) GRM5CYP3A4MAPTALDH1A1MAPK1
SCHEMBL3775736 0.75 GRM5 (0.49) GRM5CYP3A4MAPTALDH1A1MAPK1

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 1085/4885P2RX7 455/4885

“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.