SCHEMBL1053253

SCHEMBL1053253

CC(C)N(Cc1cc(Cl)cc(Br)c1)C(=O)c1cn(C)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.43
KCNH2 Q12809 9/20 0.43
SLC6A5 Q9Y345 4/20 0.43
KMT2A Q03164 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP3A4 P08684 3/20 0.35
WDR5 P61964 2/20 0.34
CYP2D6 P10635 2/20 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
SCHEMBL1053258 0.84 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL4545309 0.81 SLC6A9 (0.43) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL2687456 0.81 SLC6A9 (0.48) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL1048043 0.81 SLC6A9 (0.46) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL15104500 0.80 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP3A4WDR5
SCHEMBL1052817 0.79 SLC6A9 (0.48) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL1054079 0.79 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL15104549 0.79 SLC6A9 (0.41) SLC6A9KCNH2SLC6A5KMT2ACYP3A4
SCHEMBL4545308 0.77 SLC6A9 (0.44) SLC6A9KCNH2SLC6A5CYP3A4CYP2D6
SCHEMBL15104522 0.76 SLC6A9 (0.42) SLC6A9KCNH2SLC6A5CYP3A4WDR5

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 3 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 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.