SCHEMBL390344

SCHEMBL390344

CN(C)C1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.55
MAP4K4 O95819 1/20 0.50
CHRM4 P08173 1/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
PDE10A Q9Y233 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL15205495 1.00 MCHR1 (0.55) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL390343 1.00 MCHR1 (0.55) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL392589 0.91 MCHR1 (0.47) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL2920931 0.86 CHRM4 (0.48) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL1782256 0.86 CHRM4 (0.46) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL392170 0.85 CHRM4 (0.44) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL392169 0.85 CHRM4 (0.44) MCHR1MAP4K4CHRM4JAK2JAK1
SCHEMBL12951110 0.84 MAP4K4 (0.51) MCHR1MAP4K4JAK2HRH4HRH3
SCHEMBL22165062 0.82 MAP4K4 (0.56) MCHR1MAP4K4HRH4HRH3GRIN2D
SCHEMBL1750039 0.82 MAP4K4 (0.56) MCHR1MAP4K4HRH4HRH3GRIN2D

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057757-A1 1,3-DIHYDROIMIDAZO[4,5-C]CINNOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-03-28 WO disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP 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
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
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007141200-A1 NOVEL N-ARYL AND N-HETEROARYL SUBSTITUTED PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 WO disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-6841488-B2 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2005-01-11 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
US-20030082926-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-05-01 US 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 (4 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885MAP4K4 2376/4885CHRM4 200/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885MAP4K4 3424/4885CHRM4 139/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MCHR1 1/4885MAP4K4 3789/4885CHRM4 130/4885
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885MAP4K4 961/4885CHRM4 571/4885

“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.