SCHEMBL3239348

SCHEMBL3239348

Cc1ccc(C(F)(F)F)cc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 6/20 0.41
MICA Q29983 6/20 0.41
RAET1L Q5VY80 6/20 0.41
SLC6A9 P48067 4/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
ENPP2 Q13822 2/20 0.40
PDE2A O00408 2/20 0.39
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
P2RX7 Q99572 1/20 0.38
TACR1 P25103 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL3240099 0.89 CRHR1 (0.46) KLRK1MICARAET1LSLC6A9
SCHEMBL3237631 0.88 SLC6A9 (0.48) KLRK1MICARAET1LSLC6A9PDE2A
SCHEMBL3239594 0.87 KCNQ3 (0.44) KLRK1MICARAET1LSLC6A9KCNQ3
SCHEMBL3243792 0.86 POLB (0.47) SLC6A9
SCHEMBL3237287 0.83 SLC6A9 (0.45) SLC6A9P2RX7
SCHEMBL1348675 0.83 SLC6A9 (0.51) KLRK1MICARAET1LSLC6A9PDE2A
SCHEMBL3237991 0.82 SLC6A9 (0.40) SLC6A9TACR1
SCHEMBL13303679 0.81 TACR1 (0.40) SLC6A9TACR1SLC6A2SLC6A4
SCHEMBL3244640 0.80 SLC6A9 (0.42) SLC6A9
SCHEMBL3042940 0.80 SLC6A9 (0.47) KLRK1MICARAET1LSLC6A9SLC6A2

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 KLRK1 1993/4885MICA 3076/4885RAET1L 4434/4885

“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.