SCHEMBL1674867

SCHEMBL1674867

CN(C)C(OOn1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SIRT2 Q8IXJ6 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
DGAT1 O75907 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC9A1 P19634 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2107220 0.95 NPSR1 (0.42) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL28661871 0.93 NPSR1 (0.39) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL30467245 0.93 NPSR1 (0.39) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL7653830 0.88 SIRT2 (0.38) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL29361802 0.87 SIRT2 (0.45) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL16765694 0.87 SIRT2 (0.45) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL44480 0.87 SIRT2 (0.45) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL27529584 0.86 SIRT2 (0.44) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL1395479 0.82 POLB (0.49) NPSR1TSHRRXFP1SIRT2HDAC3
SCHEMBL29544944 0.81 SIRT2 (0.49) NPSR1TSHRRXFP1SIRT2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569086-A2 Method and kit for attaching compounds to carboxylated substrates using uronium salt Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-11-10 EP claimed
EP-2074096-B1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-8188093-B2 Pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 EP disclosed
EP-2066636-B1 5-PHENYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-26 EP disclosed
US-20110082075-A1 Anti-viral fusion peptides PRENDERGAST KENNETH FRANCIS 2011-04-07 US disclosed
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents ANDJELKOVIC MIRJANA 2010-10-21 US disclosed
US-7812028-B2 3-pyridinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2010-10-12 US disclosed
US-7781593-B2 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP disclosed
EP-2066636-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS ANDJELKOVIC MIRJANA 2009-06-04 US disclosed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO disclosed
US-20080070931-A1 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse HOFFMANN-LA ROCHE INC. 2008-03-20 US disclosed
WO-2008031734-A1 5-PHENYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
EP-0569086-A2 Method and kit for attaching compounds to carboxylated substrates using uronium salt Johnson & Johnson Clinical Diagnostics, Inc. (US) 1993-11-10 EP 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 (5 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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR NPSR1 727/4885TSHR 427/4885RXFP1 164/4885
US-20080070931-A1 CB1 cannabinoid receptor antagonists/inverse agonists; 5-(4-chloro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-6-(3-methoxy-propyl)-nicotinamide for example; eating disorders, obesity, diabetes type II or non insulin dependent diabetes (NIDD), neuroinflammation, diarrhea, drug abuse CNR2, CNR1, GPR119 NPSR1 87/4885TSHR 476/4885RXFP1 215/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR NPSR1 727/4885TSHR 427/4885RXFP1 164/4885
US-20110082075-A1 Anti-viral fusion peptides AEBP2, CNBP, HAVCR2 NPSR1 2223/4885TSHR 3463/4885RXFP1 975/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR NPSR1 727/4885TSHR 427/4885RXFP1 164/4885

“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.