SCHEMBL5125571

SCHEMBL5125571

CC(C)OC(=O)c1cccc(C(=O)N2CCC(O)(C#Cc3cccc(Cl)c3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP3K14 Q99558 1/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
CYP3A4 P08684 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
SCHEMBL5125959 0.84 GRM5 (0.60) GRM5MAPTPOLBMAP3K14ENPP2
SCHEMBL5122227 0.84 GRM5 (0.48) GRM5MAPTPOLBMAP3K14ENPP2
SCHEMBL5129581 0.79 GRM5 (0.53) GRM5ALDH1A1L3MBTL1ENPP2ATXN2
SCHEMBL5127913 0.79 SMN1; SMN2 (0.50) GRM5ALDH1A1MAPTKDM4EENPP2
SCHEMBL5118654 0.77 KMT2A (0.51) GRM5ALDH1A1
SCHEMBL5123377 0.77 GRM5 (0.46) GRM5ALDH1A1MAP3K14ENPP2ATXN2
SCHEMBL5128124 0.77 GRM5 (0.53) GRM5ALDH1A1MAP3K14CYP3A4
SCHEMBL5121708 0.77 GRM5 (0.61) GRM5ENPP2ATXN2
SCHEMBL5120355 0.77 GRM5 (0.53) GRM5KDM4EL3MBTL1ENPP2ATXN2
SCHEMBL990080 0.76 ALDH1A1 (0.45) GRM5ALDH1A1MAPT

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 1/4885ALDH1A1 908/4885MAPT 1486/4885

“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.