SCHEMBL3638875

SCHEMBL3638875

Cc1ccc([N+](=O)[O-])c(N2CCC(CC#Cc3cc(F)cc(F)c3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR174 Q9BXC1 1/20 0.32

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
SCHEMBL3645010 0.87 GRM5 (0.49) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3642219 0.82 GRM5 (0.56) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3644596 0.78 GRM5 (0.64) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL4263901 0.77 GRM5 (0.44) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3639838 0.73 GRM5 (0.64) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3639130 0.71 GRM5 (0.70) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL6284789 0.70 MAPT (0.52) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3645713 0.70 GRM5 (0.64) GRM5ALDH1A1MAPTMAPK1POLB
SCHEMBL3642139 0.70 GRM5 (0.62) GRM5CYP3A4
SCHEMBL22712193 0.69 GPR6 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP claimed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US claimed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO claimed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 GRM5 1/4885ALDH1A1 3393/4885MAPT 1249/4885

“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.