SCHEMBL8278195

SCHEMBL8278195

CCCS(=O)(=O)N1CC(CNC(=O)OC(C)(C)C)(N2CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 16/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL3886476 0.84 SLC6A9 (0.46) SLC6A9ALDH1A1LMNACYP2C9CYP1A2
SCHEMBL8278196 0.77 HCRTR2 (0.43) LMNAHCRTR2
SCHEMBL5501250 0.73 ALDH1A1 (0.41) SLC6A9ALDH1A1LMNACYP2C9CYP1A2
SCHEMBL3889138 0.73 ALDH1A1 (0.44) SLC6A9ALDH1A1LMNACYP2C9CYP1A2
SCHEMBL3893114 0.72 SLC6A9 (0.79) SLC6A9
SCHEMBL5504640 0.68 ALDH1A1 (0.46) SLC6A9ALDH1A1LMNACYP2C9CYP1A2
SCHEMBL4547019 0.68 ALDH1A1 (0.61) SLC6A9ALDH1A1LMNACYP2C9CYP1A2
SCHEMBL4177994 0.66 SMN1; SMN2 (0.47) LMNA
SCHEMBL14417786 0.65 ALDH1A1 (0.54) ALDH1A1LMNACYP2C9
SCHEMBL995533 0.65 GAA (0.38) SLC6A9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
US-7572792-B2 Azetidine glycine transporter inhibitors MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 — — US disclosed
US-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 — — US disclosed
WO-2005110983-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-11-24 — — 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-20080021010-A1 Azetidine Glycine Transporter Inhibitors SLC1A2, SLC18A2, SLC1A1 SLC6A9 10/4885ALDH1A1 1719/4885LMNA 4667/4885

“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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