SCHEMBL513264

SCHEMBL513264

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3noc(-c4ccncc4)n3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 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
SCHEMBL512774 0.91 GRM5 (0.45) GRM5MAPTCYP3A4POLBTP53
SCHEMBL512191 0.89 GRM5 (0.44) GRM5NPC1RAB9ACYP3A4POLB
SCHEMBL513747 0.88 GRM5 (0.42) GRM5CYP3A4POLBTP53GAA
SCHEMBL512815 0.88 GRM5 (0.48) GRM5MAPTCYP3A4POLBTP53
SCHEMBL512323 0.88 GRM5 (0.48) GRM5MAPTCYP3A4POLBTP53
SCHEMBL512324 0.88 GRM5 (0.48) GRM5MAPTCYP3A4POLBTP53
SCHEMBL512792 0.86 RXFP1 (0.52) GRM5NPC1RAB9AMAPTCYP3A4
SCHEMBL513137 0.86 GRM5 (0.47) GRM5MAPTCYP3A4POLBTP53
SCHEMBL513138 0.86 GRM5 (0.47) GRM5MAPTCYP3A4POLBTP53
SCHEMBL513633 0.86 GRM5 (0.47) GRM5MAPTCYP3A4POLBTP53

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 2/4885NPC1 4017/4885RAB9A 2058/4885

“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.