SCHEMBL3239749

SCHEMBL3239749

COc1ccc(Br)c(OC)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
HIF1A Q16665 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL3230703 0.88 TAS1R3 (0.45) KMT2AALDH1A1GAASLC6A9
SCHEMBL3239591 0.86 KMT2A (0.47) MEN1HTR1ACYP2D6DRD2KMT2A
SCHEMBL3233013 0.82 SLC6A9 (0.42) KMT2AALDH1A1GAASLC6A9
SCHEMBL3241436 0.82 SLC6A9 (0.41) KMT2AALDH1A1GAASLC6A9
SCHEMBL3244243 0.81 MEN1 (0.49) DRD3MEN1DRD2DRD4CYP2C19
SCHEMBL3238315 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAPKM
SCHEMBL3235815 0.81 TAS1R3 (0.43) MEN1DRD2KMT2AALDH1A1
SCHEMBL12132690 0.80 SLC6A9 (0.40) MEN1HTR1ACYP2D6CYP2C19KMT2A
SCHEMBL26840793 0.79 RXFP1 (0.38) MEN1KMT2AALDH1A1MTNR1BSLC6A9
SCHEMBL3234680 0.78 SLC6A9 (0.42) MEN1CYP2C19KMT2ASLC6A9

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 7 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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 DRD3 402/4885MEN1 2501/4885HTR1A 306/4885

“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.