SCHEMBL3236972

SCHEMBL3236972

CN(C)C1(C(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.47
SLC6A5 Q9Y345 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3240614 0.90 SLC6A9 (0.56) SLC6A9SLC6A5
SCHEMBL3239398 0.89 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL3233224 0.88 SLC6A9 (0.45) SLC6A9
SCHEMBL3236079 0.86 SLC6A9 (0.51) SLC6A9SLC6A5
SCHEMBL3237567 0.86 SLC6A9 (0.47) SLC6A9SLC6A5CYP3A4CYP2D6CYP2C9
SCHEMBL3240696 0.85 SLC6A9 (0.45) SLC6A9SLC6A5
SCHEMBL3244891 0.85 SLC6A9 (0.59) SLC6A9
SCHEMBL3237351 0.83 SLC6A9 (0.51) SLC6A9SLC6A5
SCHEMBL3243915 0.82 SLC6A9 (0.47) SLC6A9SLC6A5CYP3A4CYP2D6CYP2C9
SCHEMBL3237933 0.82 TAS1R3 (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885SLC6A5 2/4885CYP3A4 1048/4885

“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.