SCHEMBL4545294

SCHEMBL4545294

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.47
KCNH2 Q12809 13/20 0.47
SLC6A5 Q9Y345 9/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 5/20 0.46
CXCR3 P49682 1/20 0.39
PSMB5 P28074 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL1052540 0.91 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15116094 0.90 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15116040 0.90 SLC6A9 (0.45) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1053627 0.90 SLC6A9 (0.49) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545293 0.90 SLC6A9 (0.45) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15116045 0.89 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1048174 0.89 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1049640 0.89 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1050366 0.88 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15116078 0.88 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.