SCHEMBL513234

SCHEMBL513234

Cc1ccc([N+](=O)[O-])c(N2CCC(=Cc3noc(-c4cccs4)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 4/20 0.39
CYP3A4 P08684 1/20 0.39
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
GBA1 P04062 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPK1 P28482 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL512730 0.85 GRM5 (0.45) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL512774 0.85 GRM5 (0.45) GRM5MAPTCYP3A4TP53POLB
SCHEMBL513264 0.84 GRM5 (0.44) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL512885 0.84 GRM5 (0.46) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL513168 0.84 GRM5 (0.42) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL513213 0.84 GRM5 (0.42) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL513747 0.84 GRM5 (0.42) GRM5CYP3A4TP53POLBGAA
SCHEMBL513343 0.84 GRM5 (0.42) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL513266 0.83 GRM5 (0.43) GRM5RAB9ANPC1MAPTCYP3A4
SCHEMBL512323 0.82 GRM5 (0.48) GRM5MAPTCYP3A4ALDH1A1MAPK1

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 2/4885RAB9A 2058/4885NPC1 4017/4885

“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.