SCHEMBL136072

SCHEMBL136072

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 3/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GRM5 P41594 4/20 0.51
CYP3A4 P08684 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL141535 0.87 ALDH1A1 (0.51) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL10475800 0.84 LMNA (0.45) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL6284789 0.82 MAPT (0.52) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL3715234 0.81 GRM5 (0.46) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL513428 0.80 GRM5 (0.60) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL14377339 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1POLBMAPTTDP1
SCHEMBL514159 0.78 GRM5 (0.62) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL3720958 0.77 GRM5 (0.49) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL3775736 0.77 GRM5 (0.49) LMNAALDH1A1MAPK1POLBMAPT
SCHEMBL512866 0.76 GRM5 (0.48) LMNAALDH1A1MAPK1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 WO disclosed
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP disclosed
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP disclosed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed
CN-101821256-A Novel heterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD 2010-09-01 CN disclosed
WO-2010089119-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-08-12 WO disclosed
EP-2178858-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2010-04-28 EP disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO 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 (4 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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 LMNA 3170/4885ALDH1A1 2176/4885MAPK1 3584/4885
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 LMNA 3472/4885ALDH1A1 3393/4885MAPK1 3304/4885
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 LMNA 2819/4885ALDH1A1 1514/4885MAPK1 3781/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 LMNA 1601/4885ALDH1A1 2610/4885MAPK1 3316/4885

“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.