SCHEMBL3241393

SCHEMBL3241393

O=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.49
KLRK1 P26718 2/20 0.43
MICA Q29983 2/20 0.43
RAET1L Q5VY80 2/20 0.43
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL3234829 0.98 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL1348590 0.98 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL1349648 0.90 SLC6A9 (0.44) SLC6A9KLRK1MICARAET1LCES2
SCHEMBL1350222 0.88 SLC6A9 (0.49) SLC6A9KLRK1MICARAET1LGPR27
SCHEMBL1348399 0.88 SLC6A9 (0.50) SLC6A9KLRK1MICARAET1L
SCHEMBL3261467 0.87 SLC6A9 (0.49) SLC6A9
SCHEMBL1350491 0.87 SLC6A9 (0.48) SLC6A9
SCHEMBL1349999 0.87 SLC6A9 (0.50) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL1349793 0.86 SLC6A9 (0.52) SLC6A9
SCHEMBL1350744 0.86 KLRK1 (0.50) SLC6A9KLRK1MICARAET1L

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 13/4885KLRK1 1993/4885MICA 3076/4885

“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.