SCHEMBL1820609

SCHEMBL1820609

CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Oc3ccccc3)cc2)(CC2CCCO2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.55
RAB9A P51151 1/20 0.49
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1820294 0.81 SLC6A9 (0.46) SLC6A9HPGDL3MBTL1
SCHEMBL1819516 0.79 SLC6A9 (0.57) SLC6A9RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL1819431 0.77 SLC6A9 (0.86) SLC6A9
SCHEMBL1818186 0.77 SLC6A9 (0.61) SLC6A9ALDH1A1MEN1KMT2AGAA
SCHEMBL1819768 0.77 SLC6A9 (0.60) SLC6A9ALDH1A1MEN1KMT2AGAA
SCHEMBL1817735 0.77 SLC6A9 (0.62) SLC6A9ALDH1A1MEN1KMT2AGAA
SCHEMBL1819513 0.76 SLC6A9 (0.60) SLC6A9ALDH1A1MEN1KMT2AGAA
SCHEMBL1820142 0.76 SLC6A9 (0.60) SLC6A9ALDH1A1MEN1KMT2AGAA
SCHEMBL1820558 0.76 SLC6A9 (0.66) SLC6A9HPGDALDH1A1MEN1KMT2A
SCHEMBL1822103 0.76 SLC6A9 (0.70) SLC6A9ALDH1A1MEN1KMT2AGAA

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 19/4885RAB9A 962/4885HPGD 1167/4885

“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.