SCHEMBL3889138

SCHEMBL3889138

CCCS(=O)(=O)N1CC(CN)(N2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ SLC6A9 P48067 10/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL5504640 0.79 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2SLC6A9CYP2C9
SCHEMBL3886476 0.79 SLC6A9 (0.46) ALDH1A1LMNACYP1A2SLC6A9CYP2C9
SCHEMBL4547019 0.75 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2SLC6A9CYP2C9
SCHEMBL5501250 0.75 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2SLC6A9CYP2C9
SCHEMBL8278195 0.73 SLC6A9 (0.42) ALDH1A1LMNACYP1A2SLC6A9CYP2C9
SCHEMBL14836254 0.73 SLC6A9 (0.52) SLC6A9
SCHEMBL14836301 0.72 SLC6A9 (0.54) SLC6A9
SCHEMBL1820360 0.72 SLC6A9 (0.44) SLC6A9
SCHEMBL14836253 0.72 SLC6A9 (0.54) SLC6A9
SCHEMBL1820601 0.71 SLC6A9 (0.45) 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 2 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-20080021010-A1 Azetidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2008-01-24 — — US 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 ALDH1A1 1719/4885LMNA 4667/4885CYP1A2 1357/4885

“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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