SCHEMBL5118130

SCHEMBL5118130

COc1cc(C(=O)N2CCC(O)(C#Cc3cccc(Cl)c3)CC2)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL5129292 0.90 KDM4E (0.51) GRM5KDM4EALDH1A1MAPK1TDP1
SCHEMBL5129768 0.84 GRM5 (0.54) GRM5ALDH1A1ENPP2ATXN2MGLL
SCHEMBL5129000 0.84 GRM5 (0.52) GRM5KDM4ELMNAALDH1A1MAPK1
SCHEMBL5129433 0.84 GRM5 (0.49) GRM5KDM4EALDH1A1MAPK1TDP1
SCHEMBL5115603 0.84 MGLL (0.51) GRM5LMNAALDH1A1MEN1KMT2A
SCHEMBL5120360 0.83 HPGD (0.48) GRM5LMNAALDH1A1MAPK1TDP1
SCHEMBL5118042 0.82 HRH3 (0.49) GRM5KDM4EALDH1A1MAPK1TDP1
SCHEMBL5125577 0.81 PKM (0.47) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL5130061 0.81 HSD11B1 (0.53) GRM5LMNAALDH1A1MEN1KMT2A
SCHEMBL5122902 0.80 MAPT (0.47) GRM5LMNAALDH1A1MAPK1TDP1

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 1/4885KDM4E 1152/4885LMNA 4443/4885

“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.