SCHEMBL2490941

SCHEMBL2490941

COC(=O)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MAPT P10636 5/20 0.49
PDGFRB P09619 4/20 0.49
KDR P35968 4/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 1/20 0.49
MAP2K4 P45985 1/20 0.44
GABRA5 P31644 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TACR2 P21452 1/20 0.43
CNR1 P21554 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2703196 0.89 PTGS1 (0.48) SLC6A4SLC6A3MAPTPDGFRBKDR
SCHEMBL19835339 0.87 MALT1 (0.49) SLC6A4SLC6A3MAPTPDGFRBKDR
SCHEMBL28642445 0.86 CTSA (0.55) SLC6A4SLC6A3MAPTPDGFRBKDR
SCHEMBL30791358 0.86 CTSA (0.55) SLC6A4SLC6A3MAPTPDGFRBKDR
SCHEMBL2490439 0.85 PDGFRB (0.53) MAPTPDGFRBKDRMAPK1L3MBTL1
SCHEMBL442533 0.81 MAP4K4 (0.55) MAPTCNR1
SCHEMBL5359287 0.81 CNR1 (0.62) CNR1
SCHEMBL28414233 0.81 MALT1 (0.57) MAP2K4GABRA5CSNK2A2CSNK2BKDM4E
SCHEMBL2703081 0.80 CNR1 (0.65) SLC6A4SLC6A3TACR2CNR1ABL1
SCHEMBL27335814 0.80 RPS6KB1 (0.49) MAPTPDGFRBKDRGABRA5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-101522626-A 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE (CH) 2009-09-02 CN disclosed
CN-101516849-A 5-phenyl-nicotinamide derivatives HOFFMANN LA ROCHE (CH) 2009-08-26 CN 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

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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR SLC6A4 3498/4885SLC6A3 3023/4885MAPT 4139/4885
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 SLC6A4 651/4885SLC6A3 634/4885MAPT 3075/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR SLC6A4 3498/4885SLC6A3 3023/4885MAPT 4139/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR SLC6A4 3498/4885SLC6A3 3023/4885MAPT 4139/4885

“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.