SCHEMBL1821113

SCHEMBL1821113

CCS(=O)(=O)N1CCC(CNC(=O)c2cc(C)ccc2Br)(CC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.47
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1819679 0.92 SLC6A9 (0.49) SLC6A9
SCHEMBL1821283 0.80 SLC6A9 (0.43) SLC6A9
SCHEMBL1819768 0.80 SLC6A9 (0.60) SLC6A9KDM4EMEN1GAAMAPT
SCHEMBL1817421 0.79 SLC6A9 (0.52) SLC6A9
SCHEMBL1819074 0.79 SLC6A9 (0.74) SLC6A9
SCHEMBL1822350 0.76 SLC6A9 (0.67) SLC6A9
SCHEMBL1818649 0.76 SLC6A9 (0.58) SLC6A9
SCHEMBL1819047 0.75 SLC6A9 (0.55) SLC6A9
SCHEMBL1819751 0.75 SLC6A9 (0.58) SLC6A9
SCHEMBL1816380 0.75 SLC6A9 (0.68) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-7947714-B2 Piperidine glycine transporter inhibitors Merck, Sharp & Dohme Corp. (US) 2011-05-24 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 US disclosed
WO-2007053400-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2007-05-10 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 SLC6A9 19/4885KDM4E 3305/4885MEN1 4026/4885

“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.