SCHEMBL133741

SCHEMBL133741

Cc1ccc([N+](=O)[O-])c(N2CCC3(CC2)CC(C#Cc2cccc(-c4nc(C)no4)c2)=NO3)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
POLB P06746 3/20 0.39
RXFP1 Q9HBX9 1/20 0.37
GRM5 P41594 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL137586 0.86 GRM5 (0.44) POLBRXFP1GRM5MAPT
SCHEMBL135962 0.86 GRM5 (0.45) POLBGRM5MAPT
SCHEMBL137852 0.85 GRM5 (0.43) POLBGRM5MAPT
SCHEMBL139285 0.85 GRM5 (0.39) GRM5
SCHEMBL134130 0.84 GRM5 (0.42) POLBGRM5MAPT
SCHEMBL135849 0.83 GRM5 (0.39) GRM5MAPT
SCHEMBL139774 0.81 GRM5 (0.42) POLBGRM5MAPT
SCHEMBL140437 0.80 GRM5 (0.51) POLBGRM5MAPT
SCHEMBL137515 0.80 GRM5 (0.41) GRM5
SCHEMBL136175 0.80 GRM5 (0.38) POLBGRM5MAPT

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 6 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 claimed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US claimed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 US 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 TP53 4880/4885POLB 4532/4885RXFP1 121/4885

“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.