SCHEMBL3243726

SCHEMBL3243726

CN(C)C1(C(NC(=O)c2ccccc2OC(F)(F)F)c2ccccc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.43
KCNK9 Q9NPC2 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SLC6A9 P48067 6/20 0.41
HCN1 O60741 1/20 0.40
F2R P25116 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
PNLIP P16233 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3238270 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSLC6A9HCN1MEN1
SCHEMBL3238721 0.81 ALDH1A1 (0.46) ALDH1A1HPGDSLC6A9MEN1KMT2A
SCHEMBL3237287 0.80 SLC6A9 (0.45) HPGDSLC6A9
SCHEMBL3236131 0.79 ALDH1A1 (0.41) ALDH1A1HPGDSLC6A9
SCHEMBL3243701 0.79 CTSS (0.51) SLC6A9MEN1KMT2A
SCHEMBL3231206 0.79 SLC6A9 (0.62) SLC6A9
SCHEMBL3262723 0.79 SLC6A9 (0.42) SLC6A9KMT2A
SCHEMBL3239594 0.79 KCNQ3 (0.44) ALDH1A1HPGDSLC6A9
SCHEMBL3240563 0.78 KMT2A (0.49) ALDH1A1HPGDSLC6A9MEN1KMT2A
SCHEMBL3237670 0.78 GAA (0.44) ALDH1A1MEN1KMT2A

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 6 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
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
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 KCNK3 1960/4885KCNK9 1949/4885ALDH1A1 1356/4885

“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.