SCHEMBL1050366

SCHEMBL1050366

CC(C)N(Cc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1)C(=O)c1cn(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.46
KCNH2 Q12809 15/20 0.46
SLC6A5 Q9Y345 7/20 0.46
CYP2D6 P10635 7/20 0.46
CYP3A4 P08684 4/20 0.45
NTRK1 P04629 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ABL1 P00519 1/20 0.39

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
SCHEMBL4545319 0.93 SLC6A9 (0.45) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL4545310 0.92 SLC6A9 (0.47) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL1053581 0.91 SLC6A9 (0.52) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL1052404 0.90 NTRK1 (0.40) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL1048664 0.90 SLC6A9 (0.43) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL4545303 0.90 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL15116211 0.90 SLC6A9 (0.45) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL1054754 0.89 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL4545294 0.88 SLC6A9 (0.47) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4
SCHEMBL1052540 0.88 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP2D6CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454240-A1 GLYCINE TRANSPORTER INHIBITORS Taisho Pharmaceutical Co., Ltd. (JP) 2012-05-23 EP claimed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US claimed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 WO claimed
EP-2454240-A1 GLYCINE TRANSPORTER INHIBITORS Taisho Pharmaceutical Co., Ltd. (JP) 2012-05-23 EP disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 SLC6A9 5/4885KCNH2 1410/4885SLC6A5 1/4885

“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.