SCHEMBL3848872

SCHEMBL3848872

CCCS(=O)(=O)N1CCC(CN)(C(=O)N2CCOCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 14/20 0.61
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 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
SCHEMBL6277369 0.82 ALDH1A1 (0.56) SLC6A9ALDH1A1LMNACYP1A2
SCHEMBL3848851 0.81 SLC6A9 (0.71) SLC6A9ALDH1A1LMNACYP1A2
SCHEMBL3848000 0.79 ALDH1A1 (0.53) SLC6A9ALDH1A1LMNACYP1A2
SCHEMBL3858701 0.76 SLC6A9 (1.00) SLC6A9
SCHEMBL4547019 0.73 ALDH1A1 (0.61) SLC6A9ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL6222579 0.73 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPT
SCHEMBL3850161 0.72 SLC6A9 (1.00) SLC6A9
SCHEMBL12334763 0.70 GAA (0.52) ALDH1A1LMNAPOLB
SCHEMBL3889138 0.69 ALDH1A1 (0.44) SLC6A9ALDH1A1LMNACYP1A2
SCHEMBL12334776 0.68 GAA (0.49) ALDH1A1LMNAPOLB

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-7576083-B2 Morpholinyl piperidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-18 — — US disclosed
US-7576083-B2 Morpholinyl piperidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-18 — — US disclosed
US-7576083-B2 Morpholinyl piperidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-18 — — US disclosed
US-20070249606-A1 Morpholinyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME CORP. 2007-10-25 — — US disclosed
US-20070249606-A1 Morpholinyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME CORP. 2007-10-25 — — US disclosed
US-20070249606-A1 Morpholinyl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME CORP. 2007-10-25 — — US disclosed
WO-2005107469-A2 MORPHOLINYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-11-17 — — 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-20070249606-A1 Morpholinyl Piperidine Glycine Transporter Inhibitors SLC1A1, SLC1A2, SLC6A7 SLC6A9 30/4885ALDH1A1 2358/4885LMNA 3982/4885

“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.

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