SCHEMBL3914045

SCHEMBL3914045

CN(C)C(C)(C)C(NC(=O)c1c(Cl)cccc1Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
F2R P25116 1/20 0.39
SLC6A9 P48067 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3902170 0.91 LMNA (0.44) LMNAITGB1ITGA4SLC6A9UTS2R
SCHEMBL3903930 0.87 SLC6A9 (0.41) LMNAITGB1ITGA4SLC6A9UTS2R
SCHEMBL3906111 0.87 UTS2R (0.50) LMNAITGB1ITGA4SLC6A9UTS2R
SCHEMBL3902029 0.85 ITGB1 (0.43) LMNAITGB1ITGA4SLC6A9ALDH1A1
SCHEMBL3901504 0.81 LMNA (0.43) LMNAALDH1A1SMN1; SMN2
SCHEMBL3901053 0.81 GPR139 (0.49) LMNAITGB1ITGA4ALDH1A1SMN1; SMN2
SCHEMBL3906053 0.81 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3907125 0.81 TAS1R3 (0.51) LMNASLC6A9SMN1; SMN2
SCHEMBL3901980 0.81 ALDH1A1 (0.47) LMNAUTS2RALDH1A1SMN1; SMN2MEN1
SCHEMBL3907148 0.80 SLC6A9 (0.47) LMNASLC6A9UTS2RALDH1A1SMN1; SMN2

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
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP claimed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
US-20090270510-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1838663-B1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LTD (GB) 2009-01-21 EP disclosed
WO-2006067417-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-20090270510-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 LMNA 4455/4885ITGB1 4719/4885ITGA4 4739/4885

“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.