SCHEMBL3241801

SCHEMBL3241801

CC(C)(C(NC(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CNR1 P21554 3/20 0.38
SLC6A9 P48067 3/20 0.37
CNR2 P34972 2/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ITGA4 P13612 1/20 0.36
OPRK1 P41145 1/20 0.36
PTPRC P08575 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
SPR P35270 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
SCHEMBL3239948 0.93 KMT2A (0.38) LMNAALDH1A1KMT2AMEN1CNR1
SCHEMBL3236158 0.91 SLC6A9 (0.41) LMNAALDH1A1KMT2AMEN1SLC6A9
SCHEMBL3241373 0.90 ALDH1A1 (0.39) LMNAALDH1A1KMT2AMEN1SLC6A9
SCHEMBL3241715 0.84 SLC6A9 (0.42) LMNAALDH1A1KMT2AMEN1SLC6A9
SCHEMBL3238547 0.84 SMN1; SMN2 (0.48) LMNAALDH1A1KMT2AMEN1ITGB3
SCHEMBL3238790 0.83 LMNA (0.35) LMNAALDH1A1KMT2AMEN1CNR1
SCHEMBL3236221 0.83 LMNA (0.37) LMNAALDH1A1KMT2ASLC6A9OPRK1
SCHEMBL3244980 0.83 SLC6A9 (0.41) LMNACNR1SLC6A9ITGB3ITGA2B
SCHEMBL3240164 0.83 SLC6A9 (0.45) LMNACNR1SLC6A9
SCHEMBL3244920 0.83 ALDH1A1 (0.39) LMNAALDH1A1KMT2AMEN1SLC6A9

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 LMNA 4449/4885ALDH1A1 1356/4885KMT2A 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.