SCHEMBL1782256

SCHEMBL1782256

CC(C)N(C)C1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.46
MCHR1 Q99705 3/20 0.45
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
PDE10A Q9Y233 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
PANK3 Q9H999 1/20 0.39
OGA O60502 1/20 0.39
JAK3 P52333 1/20 0.39
ACACB O00763 1/20 0.39
ATM Q13315 2/20 0.39
ATR Q13535 2/20 0.39
MAP4K4 O95819 1/20 0.39
PIK3CA P42336 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
SCHEMBL390344 0.86 MCHR1 (0.55) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL390343 0.86 MCHR1 (0.55) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL15205495 0.86 MCHR1 (0.55) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL2920931 0.82 CHRM4 (0.48) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL392170 0.81 CHRM4 (0.44) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL392169 0.81 CHRM4 (0.44) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL392589 0.80 MCHR1 (0.47) CHRM4MCHR1JAK2JAK1PDE10A
SCHEMBL13984216 0.76 MAPT (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL21861463 0.76 MAPT (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL14347211 0.76 MAPT (0.48) CHRM4PDE10AGRIN2DGRIN3BGRIN1

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-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
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 CHRM4 571/4885MCHR1 1/4885JAK2 231/4885

“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.