SCHEMBL3243610

SCHEMBL3243610

CC(C)(C(NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.48
KLRK1 P26718 2/20 0.44
MICA Q29983 2/20 0.44
RAET1L Q5VY80 2/20 0.44
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
CES2 O00748 1/20 0.41
MTTP P55157 3/20 0.41
TACR1 P25103 2/20 0.40
HSD17B2 P37059 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNK3 O14649 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
SCHEMBL3244231 0.99 SLC6A9 (0.48) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL3238244 0.90 SLC6A9 (0.41) SLC6A9KCNK3
SCHEMBL3230747 0.88 KLRK1 (0.44) SLC6A9KLRK1MICARAET1LMTTP
SCHEMBL3239899 0.87 SLC6A9 (0.42) SLC6A9KLRK1MICARAET1LAVPR2
SCHEMBL3243981 0.87 CRHR1 (0.46) SLC6A9KLRK1MICARAET1LKCNK3
SCHEMBL3244977 0.84 TACR1 (0.39) SLC6A9TRPV4MTTPTACR1
SCHEMBL3240772 0.81 SLC6A9 (0.45) SLC6A9TRPV4
SCHEMBL3236142 0.81 SLC6A9 (0.41) SLC6A9TRPV4TACR1
SCHEMBL29765315 0.81 SLC6A9 (0.52) SLC6A9MTTPTACR1
SCHEMBL3008740 0.81 SLC6A9 (0.52) SLC6A9MTTPTACR1

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 9 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
EP-2170820-A2 IMPROVED PROCESS OF AMIDE FORMATION Glaxo Group Limited (GB) 2010-04-07 EP disclosed
EP-2041082-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008155334-A2 IMPROVED PROCESS OF AMIDE FORMATION GLAXO GROUP LIMITED (GB) 2008-12-24 WO 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-2007147831-A1 PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER GLAXO GROUP LIMITED (GB) 2007-12-27 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.