SCHEMBL5124080

SCHEMBL5124080

Nc1nccnc1C(=O)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.44
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
MAP3K14 Q99558 4/20 0.38
DHFR P00374 1/20 0.38
PKD1 P98161 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37

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
SCHEMBL5122371 0.83 EPHX2 (0.46) GRM5ENPP2ATXN2MAP3K14CYP46A1
SCHEMBL5125577 0.81 PKM (0.47) GRM5ENPP2ATXN2CYP46A1
SCHEMBL5115048 0.81 GRM5 (0.51) GRM5
SCHEMBL5129581 0.81 GRM5 (0.53) GRM5ENPP2ATXN2CYP46A1
SCHEMBL5119714 0.80 GRM5 (0.45) GRM5ENPP2ATXN2DHFR
SCHEMBL5129768 0.80 GRM5 (0.54) GRM5ENPP2ATXN2
SCHEMBL5123781 0.80 GRM5 (0.45) GRM5ENPP2ATXN2MAP3K14
SCHEMBL5123315 0.79 GRM5 (0.44) GRM5ENPP2ATXN2MAP3K14CYP46A1
SCHEMBL5123091 0.79 GRM5 (0.43) GRM5ENPP2ATXN2CYP46A1
SCHEMBL5121708 0.79 GRM5 (0.61) GRM5ENPP2ATXN2CYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 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-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists GRM5, GRIK5, GRM1 GRM5 1/4885ENPP2 1487/4885ATXN2 760/4885

“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.