SCHEMBL5130180

SCHEMBL5130180

O=C(c1cnc(Cl)c(Cl)c1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 7/20 0.46
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
DDR1 Q08345 1/20 0.40
CNR1 P21554 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL5119674 0.86 GRM5 (0.47) MEN1KMT2AGRM5ENPP2ATXN2
SCHEMBL5119714 0.84 GRM5 (0.45) MEN1KMT2AGRM5ENPP2ATXN2
SCHEMBL5129768 0.84 GRM5 (0.54) GRM5ENPP2ATXN2PKMMGLL
SCHEMBL5125577 0.84 PKM (0.47) MEN1KMT2AGRM5ENPP2ATXN2
SCHEMBL5121708 0.83 GRM5 (0.61) GRM5ENPP2ATXN2
SCHEMBL5124584 0.82 PKM (0.47) GRM5ENPP2ATXN2HPGDPKM
SCHEMBL5115972 0.82 PKM (0.64) MEN1KMT2AGRM5ENPP2ATXN2
SCHEMBL5122295 0.82 GRM5 (0.43) GRM5ENPP2ATXN2HPGDPKM
SCHEMBL5118042 0.82 HRH3 (0.49) GRM5ENPP2ATXN2
SCHEMBL5115603 0.81 MGLL (0.51) MEN1KMT2AGRM5ENPP2ATXN2

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 MEN1 4024/4885KMT2A 1939/4885GRM5 1/4885

“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.