SCHEMBL3240052

SCHEMBL3240052

CCc1cc(OC)c(C(=O)NC(c2ccccc2)C2(N(C)C)CCCC2)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
SLC6A9 P48067 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC6A5 Q9Y345 3/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3239737 0.84 POLB (0.47) ALDH1A1GAAPKMHPGDKMT2A
SCHEMBL3238270 0.81 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AMEN1SLC6A9
SCHEMBL3238721 0.80 ALDH1A1 (0.46) ALDH1A1GAAPKMHPGDKMT2A
SCHEMBL8264425 0.80 SLC6A9 (0.50) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL3237145 0.80 AVPR2 (0.43) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL3236119 0.80 NR1H4 (0.45) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL3243825 0.79 TAS1R3 (0.42) ALDH1A1GAAPKMHPGDKMT2A
SCHEMBL3236003 0.79 MEN1 (0.42) ALDH1A1GAAPKMHPGDKMT2A
SCHEMBL3237710 0.78 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AMEN1SLC6A9
SCHEMBL4357362 0.78 PLK1 (0.50) ALDH1A1HPGDKMT2AMEN1SLC6A9

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 ALDH1A1 1356/4885GAA 127/4885PKM 1033/4885

“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.