SCHEMBL3240772

SCHEMBL3240772

CC(C)(C(NC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.45
ITGA4 P13612 1/20 0.41
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV4 Q9HBA0 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 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
SCHEMBL3238426 0.93 SLC6A9 (0.42) SLC6A9ITGA4OPRK1MEN1KMT2A
SCHEMBL3238049 0.93 ITGA4 (0.49) SLC6A9ITGA4OPRK1NPC1MEN1
SCHEMBL3244980 0.87 SLC6A9 (0.41) SLC6A9ITGA4OPRK1LMNA
SCHEMBL3244224 0.87 SLC6A9 (0.42) SLC6A9ITGA4OPRK1NPC1MEN1
SCHEMBL3238677 0.86 SLC6A9 (0.62) SLC6A9
SCHEMBL3234846 0.85 SLC6A9 (0.61) SLC6A9
SCHEMBL3240164 0.85 SLC6A9 (0.45) SLC6A9TRPV4LMNA
SCHEMBL3244977 0.85 TACR1 (0.39) SLC6A9TRPV4
SCHEMBL3243734 0.84 SLC6A9 (0.48) SLC6A9NPC1MEN1KMT2ALMNA
SCHEMBL3238424 0.84 CTSS (0.51) 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
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 13/4885ITGA4 4778/4885OPRK1 1021/4885

“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.