SCHEMBL5124584

SCHEMBL5124584

O=C(c1cncc(Br)c1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
L3MBTL4 Q8NA19 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 4/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
MGLL Q99685 1/20 0.39
TP53 P04637 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
SCHEMBL5115972 0.88 PKM (0.64) PKML3MBTL1GRM5ENPP2ATXN2
SCHEMBL5125577 0.85 PKM (0.47) PKMHPGDSMN1; SMN2HTTGRM5
SCHEMBL5129768 0.84 GRM5 (0.54) PKML3MBTL1GRM5ENPP2ATXN2
SCHEMBL5119674 0.83 GRM5 (0.47) PKMHPGDSMN1; SMN2HTTGRM5
SCHEMBL5130180 0.82 MEN1 (0.47) PKMHPGDSMN1; SMN2HTTGRM5
SCHEMBL5115659 0.82 PKM (0.58) PKML3MBTL1GRM5ENPP2ATXN2
SCHEMBL5119714 0.82 GRM5 (0.45) PKMHPGDSMN1; SMN2HTTGRM5
SCHEMBL5115603 0.81 MGLL (0.51) HPGDSMN1; SMN2HTTGRM5ENPP2
SCHEMBL5120360 0.80 HPGD (0.48) HPGDSMN1; SMN2HTTGRM5ENPP2
SCHEMBL5130061 0.80 HSD11B1 (0.53) HPGDSMN1; SMN2HTTGRM5ENPP2

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 PKM 946/4885HPGD 582/4885SMN1; SMN2 2698/4885

“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.