SCHEMBL3233013

SCHEMBL3233013

COc1cccc(C)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
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
SCHEMBL3239591 0.93 KMT2A (0.47) SLC6A9GAAKMT2AMAPTGFER
SCHEMBL3243734 0.90 SLC6A9 (0.48) SLC6A9KMT2AALDH1A1HPGDLMNA
SCHEMBL3238301 0.89 SLC6A9 (0.47) SLC6A9KMT2AALDH1A1HPGDLMNA
SCHEMBL3241436 0.88 SLC6A9 (0.41) SLC6A9GAAKMT2AMAPTGFER
SCHEMBL3238820 0.88 SLC6A9 (0.41) SLC6A9GAAKMT2AATMMAPT
SCHEMBL12132690 0.87 SLC6A9 (0.40) SLC6A9GAAKMT2AMAPTGFER
SCHEMBL3238177 0.87 TAS1R3 (0.41) SLC6A9GAAKMT2AATMMAPT
SCHEMBL3234680 0.85 SLC6A9 (0.42) SLC6A9KMT2AHPGDSLC6A5
SCHEMBL3241715 0.85 SLC6A9 (0.42) SLC6A9KMT2AMAPTALDH1A1HPGD
SCHEMBL3234880 0.84 CCR5 (0.41) SLC6A9KMT2AMAPTGFERALDH1A1

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-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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885GAA 127/4885KMT2A 1871/4885

“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.