SCHEMBL5115539

SCHEMBL5115539

N#Cc1ccc(C(=O)N2CCC(O)(C#Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
SCN5A Q14524 2/20 0.50
SCN9A Q15858 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRM5 P41594 3/20 0.46
ENPP2 Q13822 1/20 0.46
ATXN2 Q99700 1/20 0.46
CYP3A4 P08684 5/20 0.45
USP2 O75604 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 3/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL5115603 0.89 MGLL (0.51) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5130061 0.88 HSD11B1 (0.53) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5120360 0.88 HPGD (0.48) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5129768 0.87 GRM5 (0.54) ALDH1A1GRM5ENPP2ATXN2MGLL
SCHEMBL5125577 0.86 PKM (0.47) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5129000 0.85 GRM5 (0.52) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5128835 0.85 ALDH1A1 (0.49) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5122942 0.85 PKLR (0.49) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5124060 0.84 ENPP2 (0.48) SMN1; SMN2HPGDLMNAHTTALDH1A1
SCHEMBL5129080 0.83 MGLL (0.53) SMN1; SMN2HPGDLMNAHTTALDH1A1

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 SMN1; SMN2 2698/4885SCN5A 83/4885SCN9A 1244/4885

“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.