SCHEMBL1819095

SCHEMBL1819095

[CH2]C1(N2CCCCC2)CCN(S(=O)(=O)CCC)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 11/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4277869 0.78 L3MBTL1 (0.47) ALOX15L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL1820360 0.78 SLC6A9 (0.44) SLC6A9
SCHEMBL1819806 0.77 SLC6A9 (0.37) SLC6A9ALOX15L3MBTL1ALDH1A1KDM4E
SCHEMBL178417 0.76 L3MBTL1 (0.49) ALOX15L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL14417825 0.73 L3MBTL1 (0.44) SLC6A9ALOX15L3MBTL1ALDH1A1KDM4E
SCHEMBL31030375 0.72 L3MBTL1 (0.49) ALOX15L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL23555007 0.72 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EGAAPKM
SCHEMBL14417817 0.70 L3MBTL1 (0.45) SLC6A9ALOX15L3MBTL1ALDH1A1KDM4E
SCHEMBL5504640 0.70 ALDH1A1 (0.46) SLC6A9L3MBTL1ALDH1A1KDM4EGLA
SCHEMBL14836301 0.69 SLC6A9 (0.54) 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 4 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-20090270451-A1 Piperdine Glycine Transporter Inhibitors MERCK & CO., INC. (US) 2009-10-29 — — US disclosed
EP-1942893-A2 PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2008-07-16 — — EP 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 19/4885ALOX15 3469/4885L3MBTL1 1881/4885

“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.

Send feedback