SCHEMBL5129581

SCHEMBL5129581

O=C(c1ccccn1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.44
GRM4 Q14833 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42
CCR4 P51679 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
RIPK1 Q13546 1/20 0.41
THRB P10828 1/20 0.41
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
RBP4 P02753 1/20 0.40

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
SCHEMBL5127889 0.94 GRM5 (0.48) GRM5L3MBTL1ALDH1A1GRM4HDAC6
SCHEMBL5115048 0.87 GRM5 (0.51) GRM5ALDH1A1CYP3A4
SCHEMBL5121708 0.87 GRM5 (0.61) GRM5CYP46A1ENPP2ATXN2
SCHEMBL5122227 0.86 GRM5 (0.48) GRM5CYP3A4ENPP2ATXN2
SCHEMBL5125959 0.84 GRM5 (0.60) GRM5EPHX2CYP3A4ENPP2ATXN2
SCHEMBL5119700 0.83 PTK2 (0.53) GRM5ENPP2ATXN2
SCHEMBL5125577 0.83 PKM (0.47) GRM5ALDH1A1CYP46A1CYP3A4ENPP2
SCHEMBL5128124 0.83 GRM5 (0.53) GRM5ALDH1A1CYP3A4
SCHEMBL5127913 0.82 SMN1; SMN2 (0.50) GRM5ALDH1A1ENPP2ATXN2
SCHEMBL5129768 0.82 GRM5 (0.54) GRM5L3MBTL1ALDH1A1ENPP2ATXN2

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 1/4885L3MBTL1 4824/4885ALDH1A1 908/4885

“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.