SCHEMBL513696

SCHEMBL513696

Cc1ccc2oc(C=C3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.51
HSD11B1 P28845 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL513263 0.89 MAPT (0.53) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL512252 0.89 GRM5 (0.56) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL513522 0.88 LMNA (0.55) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL513226 0.87 GRM5 (0.52) GRM5POLBLMNACYP3A4CYP1A2
SCHEMBL512778 0.83 MAPT (0.53) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL512619 0.78 GRM5 (0.46) GRM5POLBLMNACYP3A4CYP1A2
SCHEMBL514927 0.74 MAPT (0.37) GRM5POLBLMNACYP3A4NPC1
SCHEMBL513164 0.72 LMNA (0.49) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL3637977 0.71 GRM5 (1.00) GRM5POLBLMNACYP3A4HSD11B1
SCHEMBL515408 0.70 GRM5 (0.73) GRM5POLBLMNACYP3A4HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP claimed
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 2/4885POLB 2550/4885LMNA 1601/4885

“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.