SCHEMBL512885

SCHEMBL512885

Cc1cccc(-c2nc(C=C3CCN(c4nc(C)ccc4[N+](=O)[O-])CC3)no2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL513593 0.90 GRM5 (0.45) GRM5CYP3A4ALDH1A1MAPTPOLB
SCHEMBL512774 0.88 GRM5 (0.45) GRM5CYP3A4MAPTPOLBRXFP1
SCHEMBL512792 0.86 RXFP1 (0.52) GRM5CYP3A4MAPTMAPK1POLB
SCHEMBL513266 0.85 GRM5 (0.43) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513264 0.85 GRM5 (0.44) GRM5CYP3A4MAPTPOLBRAB9A
SCHEMBL512738 0.85 RXFP1 (0.43) GRM5CYP3A4POLBRXFP1TP53
SCHEMBL513066 0.85 GRM5 (0.43) GRM5CYP3A4MAPTMAPK1POLB
SCHEMBL512323 0.84 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL512815 0.84 GRM5 (0.48) GRM5CYP3A4ALDH1A1MAPTMAPK1
SCHEMBL513234 0.84 GRM5 (0.42) GRM5CYP3A4ALDH1A1MAPTMAPK1

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 2/4885CYP3A4 1085/4885ALDH1A1 2610/4885

“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.