SCHEMBL1782278

SCHEMBL1782278

CCN[C@@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
PDE10A Q9Y233 1/20 0.44
AKT1 P31749 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HMOX1 P09601 1/20 0.41
HRH4 Q9H3N8 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CHRM4 P08173 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL1782714 1.00 GRM2 (0.44) GRM2GRM3PDE10AAKT1GRIN2D
SCHEMBL1782143 1.00 GRM2 (0.44) GRM2GRM3PDE10AAKT1GRIN2D
SCHEMBL1783315 0.90 GRM2 (0.42) GRM2GRM3PDE10AGRIN2DGRIN3B
SCHEMBL17076815 0.85 AKT1 (0.47) AKT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15652000 0.85 AKT1 (0.47) AKT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1778455 0.85 HRH4 (0.51) HRH4KCNH2MCHR1
SCHEMBL14372885 0.85 HRH4 (0.51) HRH4KCNH2MCHR1
SCHEMBL389819 0.84 OPRK1 (0.49) GRM2GRM3PDE10AGRIN2DGRIN3B
SCHEMBL389820 0.84 OPRK1 (0.49) GRM2GRM3PDE10AGRIN2DGRIN3B
SCHEMBL1779246 0.84 AKT1 (0.46) AKT1HMOX1HRH4KCNH2MCHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 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-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R GRM2 843/4885GRM3 414/4885PDE10A 1876/4885

“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.