SCHEMBL5116664

SCHEMBL5116664

Cn1c(Cl)ccc1C(=O)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.46
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAP3K14 Q99558 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5123310 0.84 MEN1 (0.48) GRM5MAP3K14
SCHEMBL5129768 0.82 GRM5 (0.54) GRM5ENPP2ATXN2
SCHEMBL5120360 0.81 HPGD (0.48) GRM5ENPP2ATXN2LMNAHTT
SCHEMBL5123377 0.80 GRM5 (0.46) GRM5ENPP2ATXN2MAP3K14SMN1; SMN2
SCHEMBL5115603 0.80 MGLL (0.51) GRM5ENPP2ATXN2LMNAHTT
SCHEMBL5125577 0.80 PKM (0.47) GRM5ENPP2ATXN2CYP3A4LMNA
SCHEMBL5125484 0.79 ENPP2 (0.45) GRM5ENPP2ATXN2LMNAHTT
SCHEMBL5121839 0.79 MGLL (0.46) GRM5ENPP2ATXN2LMNAHTT
SCHEMBL5130061 0.79 HSD11B1 (0.53) GRM5ENPP2ATXN2LMNAHTT
SCHEMBL5122942 0.78 PKLR (0.49) GRM5ENPP2ATXN2LMNAHTT

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 3 patents. 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
EP-1856107-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS Novartis AG (CH) 2007-11-21 EP disclosed
WO-2006089700-A1 PYRROLIDINE AND PIPERIDINE ACETYLENE DERIVATIVES FOR USE AS MGLUR5 ANTAGONISTS NOVARTIS AG (CH) 2006-08-31 WO 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 1/4885ENPP2 1487/4885ATXN2 760/4885

“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.