SCHEMBL5129768

SCHEMBL5129768

O=C(c1cccc(Cl)c1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.54
MGLL Q99685 1/20 0.51
PKM P14618 1/20 0.50
ENPP2 Q13822 1/20 0.49
ATXN2 Q99700 1/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL5124023 0.92 SMN1; SMN2 (0.58) GRM5MGLLALDH1A1HSD11B1
SCHEMBL5124060 0.90 ENPP2 (0.48) GRM5MGLLENPP2ATXN2ALDH1A1
SCHEMBL5125577 0.89 PKM (0.47) GRM5PKMENPP2ATXN2ALDH1A1
SCHEMBL5115603 0.89 MGLL (0.51) GRM5MGLLENPP2ATXN2ALDH1A1
SCHEMBL5124212 0.89 MAPT (0.48) GRM5ENPP2ATXN2HSD11B1
SCHEMBL5129080 0.89 MGLL (0.53) GRM5MGLLENPP2ATXN2ALDH1A1
SCHEMBL5120360 0.88 HPGD (0.48) GRM5ENPP2ATXN2ALDH1A1CHRM2
SCHEMBL5130061 0.88 HSD11B1 (0.53) GRM5MGLLENPP2ATXN2ALDH1A1
SCHEMBL5115972 0.88 PKM (0.64) GRM5PKMENPP2ATXN2ALDH1A1
SCHEMBL5115539 0.87 SMN1; SMN2 (0.50) GRM5MGLLENPP2ATXN2ALDH1A1

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 1/4885MGLL 3523/4885PKM 946/4885

“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.