SCHEMBL3244980

SCHEMBL3244980

CC(C)(C(NC(=O)c1c(C(F)(F)F)ccc(Cl)c1F)c1ccccc1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.41
ITGA4 P13612 2/20 0.36
CASR P41180 1/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.35
P2RX7 Q99572 1/20 0.34
CXCR2 P25025 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.34
ITGB1 P05556 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL3240164 0.90 SLC6A9 (0.45) SLC6A9CASRLMNACNR1P2RX7
SCHEMBL3240772 0.87 SLC6A9 (0.45) SLC6A9ITGA4LMNAOPRK1
SCHEMBL3238049 0.85 ITGA4 (0.49) SLC6A9ITGA4LMNACNR1OPRK1
SCHEMBL3238566 0.85 SLC6A9 (0.40) SLC6A9LMNAITGB3ITGA2B
SCHEMBL3238426 0.83 SLC6A9 (0.42) SLC6A9ITGA4OPRK1
SCHEMBL3241801 0.83 LMNA (0.40) SLC6A9ITGA4LMNACNR1ITGB3
SCHEMBL3238677 0.80 SLC6A9 (0.62) SLC6A9P2RX7
SCHEMBL3236221 0.80 LMNA (0.37) SLC6A9LMNAOPRK1MAPT
SCHEMBL3234846 0.80 SLC6A9 (0.61) SLC6A9P2RX7
SCHEMBL3243981 0.80 CRHR1 (0.46) SLC6A9ITGA4MAPTITGB1

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 13/4885ITGA4 4778/4885CASR 2729/4885

“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.