SCHEMBL5122295

SCHEMBL5122295

O=C(c1ccc(-n2cccc2)nc1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PKLR P30613 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
SCHEMBL5119674 0.87 GRM5 (0.47) GRM5ENPP2ATXN2PKMHPGD
SCHEMBL5119714 0.85 GRM5 (0.45) GRM5ENPP2ATXN2PKMHPGD
SCHEMBL5128835 0.85 ALDH1A1 (0.49) GRM5ENPP2ATXN2HPGDSMN1; SMN2
SCHEMBL5118042 0.83 HRH3 (0.49) GRM5ENPP2ATXN2HRH3
SCHEMBL5130180 0.82 MEN1 (0.47) GRM5ENPP2ATXN2PKMHPGD
SCHEMBL5129768 0.81 GRM5 (0.54) GRM5ENPP2ATXN2PKM
SCHEMBL5115972 0.81 PKM (0.64) GRM5ENPP2ATXN2PKMLMNA
SCHEMBL5115603 0.80 MGLL (0.51) GRM5ENPP2ATXN2HPGDSMN1; SMN2
SCHEMBL5125577 0.80 PKM (0.47) GRM5ENPP2ATXN2PKMHPGD
SCHEMBL5120360 0.79 HPGD (0.48) GRM5ENPP2ATXN2HPGDSMN1; SMN2

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.