SCHEMBL5125484

SCHEMBL5125484

O=C(c1cc[nH]c1)N1CCC(O)(C#Cc2cccc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
GRM5 P41594 9/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
PKLR P30613 1/20 0.39
MGLL Q99685 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
SCHEMBL5129768 0.86 GRM5 (0.54) ENPP2ATXN2GRM5ALDH1A1CHRM2
SCHEMBL5124133 0.83 ENPP2 (0.46) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5125577 0.83 PKM (0.47) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5115603 0.83 MGLL (0.51) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5130061 0.82 HSD11B1 (0.53) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5120360 0.82 HPGD (0.48) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5115539 0.81 SMN1; SMN2 (0.50) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5124060 0.81 ENPP2 (0.48) ENPP2ATXN2HPGDSMN1; SMN2LMNA
SCHEMBL5124023 0.81 SMN1; SMN2 (0.58) HPGDSMN1; SMN2HTTGRM5MEN1
SCHEMBL5119789 0.80 MEN1 (0.48) ENPP2ATXN2HPGDSMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods HIGUCHI ROBERT I 2008-12-04 US disclosed
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
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2007-03-29 US 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 (3 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 760/4885HPGD 582/4885
US-20080300241-A9 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ENPP2 1690/4885ATXN2 2613/4885HPGD 707/4885
US-20070072849-A1 Tricyclic quinolinone and tricyclic quinoline androgen receptor modulator compounds and methods AR, NR5A1, FSHR ENPP2 1690/4885ATXN2 2613/4885HPGD 707/4885

“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.