SCHEMBL139869

SCHEMBL139869

Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC(C#Cc2ccco2)=NO3)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
ALDH1A1 P00352 7/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
IDH1 O75874 1/20 0.31
CYP2C19 P33261 1/20 0.30
LMNA P02545 3/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL134130 0.86 GRM5 (0.42) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL134526 0.86 GRM5 (0.42) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL140437 0.85 GRM5 (0.51) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL136179 0.85 GRM5 (0.42) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL136479 0.85 GRM5 (0.41) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL133709 0.84 GRM5 (0.41) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL135401 0.84 GRM5 (0.42) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL135089 0.83 GRM5 (0.38) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL137586 0.83 GRM5 (0.44) GRM5ALDH1A1MAPTMAPK1TDP1
SCHEMBL135865 0.83 GRM5 (0.38) GRM5ALDH1A1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US claimed
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP claimed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US claimed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 WO claimed
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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 GRM5 1/4885ALDH1A1 1514/4885MAPT 3429/4885

“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.