SCHEMBL3237351

SCHEMBL3237351

COc1cccc(Cl)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.51
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
ALDH1A1 P00352 2/20 0.39
FABP4 P15090 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL3240768 0.92 SLC6A9 (0.58) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL3240614 0.90 SLC6A9 (0.56) SLC6A9ITGB1ITGA4SLC6A5
SCHEMBL3239398 0.89 SLC6A9 (0.55) SLC6A9ITGB1ITGA4SLC6A5
SCHEMBL3233042 0.88 SLC6A9 (0.52) SLC6A9ALDH1A1HPGDSLC6A5
SCHEMBL3237485 0.88 SLC6A9 (0.48) SLC6A9ALDH1A1
SCHEMBL3237933 0.88 TAS1R3 (0.46) SLC6A9ALDH1A1
SCHEMBL13303916 0.87 SLC6A9 (0.47) SLC6A9ALDH1A1
SCHEMBL8264425 0.86 SLC6A9 (0.50) SLC6A9ALDH1A1HPGD
SCHEMBL3236079 0.86 SLC6A9 (0.51) SLC6A9ITGB1ITGA4SLC6A5
SCHEMBL3238270 0.83 ALDH1A1 (0.57) SLC6A9ALDH1A1HPGD

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 13/4885ITGB1 4772/4885ITGA4 4778/4885

“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.