SCHEMBL1780988

SCHEMBL1780988

Brc1ccc(N2CCC(NC3CCCC3)C2)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.51
PDE10A Q9Y233 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL1783262 0.99 OPRK1 (0.53) OPRK1
SCHEMBL387167 0.94 OPRK1 (0.45) OPRK1PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL387168 0.94 OPRK1 (0.45) OPRK1PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL1781339 0.88 OPRK1 (0.49) OPRK1PDE10AGRIN2DGRIN3BGRIN1
SCHEMBL1778455 0.83 HRH4 (0.51)
SCHEMBL14372885 0.83 HRH4 (0.51)
SCHEMBL1782143 0.80 GRM2 (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1782714 0.80 GRM2 (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1782278 0.80 GRM2 (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15205294 0.78 TRPV1 (0.50)

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 3 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
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 OPRK1 93/4885PDE10A 1876/4885GRIN2D 3941/4885

“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.