SCHEMBL5124133

SCHEMBL5124133

O=C(c1ccc(Cl)[nH]1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
GRM5 P41594 9/20 0.43
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
GPR183 P32249 1/20 0.39
MGLL Q99685 1/20 0.39
PKLR P30613 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL5129768 0.85 GRM5 (0.54) ENPP2ATXN2GRM5CHRM2CHRM3
SCHEMBL5125484 0.83 ENPP2 (0.45) ENPP2ATXN2GRM5CHRM2CHRM3
SCHEMBL5125577 0.82 PKM (0.47) ENPP2ATXN2GRM5LMNAHPGD
SCHEMBL5115603 0.82 MGLL (0.51) ENPP2ATXN2GRM5CHRM2CHRM3
SCHEMBL5129529 0.81 HRH4 (0.53) GPR183MEN1POLBKMT2A
SCHEMBL5120360 0.81 HPGD (0.48) ENPP2ATXN2GRM5CHRM2CHRM3
SCHEMBL5130061 0.81 HSD11B1 (0.53) ENPP2ATXN2GRM5LMNAHPGD
SCHEMBL5124023 0.80 SMN1; SMN2 (0.58) GRM5HPGDSMN1; SMN2HTTMGLL
SCHEMBL5115539 0.80 SMN1; SMN2 (0.50) ENPP2ATXN2GRM5LMNAHPGD
SCHEMBL5124060 0.80 ENPP2 (0.48) ENPP2ATXN2GRM5LMNAHPGD

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 ENPP2 1487/4885ATXN2 760/4885GRM5 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.