SCHEMBL136133

SCHEMBL136133

CCN(C(=O)N1CCC2(CC(C#Cc3cccc(Cl)c3)=NO2)C1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.53
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35
PTGES O14684 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
SCHEMBL136509 0.87 GRM5 (0.49) GRM5CYP3A4ENPP2ATXN2
SCHEMBL133763 0.85 GRM5 (0.44) GRM5CYP3A4PTGES
SCHEMBL139777 0.84 GRM5 (0.44) GRM5CYP3A4ENPP2ATXN2
SCHEMBL136771 0.84 GRM5 (0.53) GRM5CYP3A4CYP1A2
SCHEMBL133024 0.82 GRM5 (0.41) GRM5CYP3A4ENPP2ATXN2
SCHEMBL138086 0.82 GRM5 (0.51) GRM5CYP3A4ENPP2ATXN2
SCHEMBL136209 0.81 GRM5 (0.56) GRM5CYP3A4CYP1A2
SCHEMBL135952 0.81 GRM5 (0.49) GRM5CYP3A4ENPP2ATXN2
SCHEMBL136253 0.80 GRM5 (0.41) GRM5CYP3A4ENPP2ATXN2
SCHEMBL134179 0.80 GRM5 (0.50) GRM5CYP3A4ENPP2ATXN2

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
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 GRM5 1/4885CYP3A4 3928/4885CYP1A2 3174/4885

“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.