SCHEMBL1781248

SCHEMBL1781248

Brc1ccc(N2CCC(N3CCOCC3)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.53
AKR1C3 P42330 1/20 0.52
PDE10A Q9Y233 1/20 0.41
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
ADRA1A P35348 2/20 0.40
NMT1 P30419 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MAP3K12 Q12852 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL1779679 0.87 HRH3 (0.45) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL30644271 0.85 AKR1C3 (0.51) MAP4K4AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL15651882 0.84 MAP4K4 (0.59) MAP4K4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL389578 0.81 PDE10A (0.41) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL390241 0.81 PDE10A (0.41) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL5623842 0.81 GRIN2D (0.48) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL23263993 0.81 MAP4K4 (0.51) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL2324509 0.81 HRH3 (0.47) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL30294197 0.81 MAP4K4 (0.51) MAP4K4AKR1C3PDE10AGRIN2DGRIN3B
SCHEMBL19593 0.79 AKR1C3 (0.70) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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-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
CN-102015684-A Bi-pyridylpyridones as melanin concentrating hormone receptor 1 antagonists GLAXO GROUP LTD 2011-04-13 CN 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
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 MAP4K4 961/4885AKR1C3 273/4885PDE10A 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.