SCHEMBL4545309

SCHEMBL4545309

CC(C)N(Cc1cc(Cl)cc(-c2ccc(F)cc2)c1)C(=O)c1cn(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.43
KCNH2 Q12809 8/20 0.43
SLC6A5 Q9Y345 5/20 0.42
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.36
CENPE Q02224 1/20 0.35
PSMB5 P28074 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
KAT8 Q9H7Z6 1/20 0.34
BCL2 P10415 1/20 0.34

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
SCHEMBL4545308 0.87 SLC6A9 (0.44) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545316 0.87 CENPE (0.41) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545317 0.84 SLC6A9 (0.47) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545318 0.83 SLC6A9 (0.47) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL1052540 0.83 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1053253 0.81 SLC6A9 (0.43) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL4545311 0.81 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15104576 0.81 SCN9A (0.40) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL15104638 0.81 SLC6A9 (0.43) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL1053627 0.80 SLC6A9 (0.49) 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.