SCHEMBL2702605

SCHEMBL2702605

COC(=O)c1cnc(N2CCCCC2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
MAPT P10636 1/20 0.46
NAMPT P43490 7/20 0.45
OPRK1 P41145 1/20 0.43
THRB P10828 1/20 0.42
GRIA1 P42261 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3817793 0.88 CNR1 (0.54) CNR1MAPTOPRK1HPGD
SCHEMBL3818182 0.88 CNR1 (0.52) CNR1MAPTHPGDALDH1A1
SCHEMBL3813241 0.85 THRB (0.45) CNR1MAPTNAMPTTHRBGRIA1
SCHEMBL2702944 0.85 THRB (0.45) CNR1MAPTNAMPTTHRBGRIA1
SCHEMBL2703114 0.83 CNR2 (0.46) CNR1NAMPT
SCHEMBL2704721 0.80 CNR1 (0.45) CNR1NAMPT
SCHEMBL2704723 0.80 CNR1 (0.45) CNR1NAMPT
SCHEMBL27899137 0.78 NAMPT (0.43) CNR1NAMPT
SCHEMBL12099824 0.76 NAMPT (0.58) MAPTNAMPT
SCHEMBL2704105 0.76 MAPT (0.46) CNR1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522644-B Pyrazine-2-carboxamide derivatives as cb2 receptor modulators HOFFMANN LA ROCHE 2013-04-24 CN disclosed
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
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
EP-2076499-B1 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
US-7691863-B2 Pyrazine-2-carboxamide derivatives as CB2 receptor modulators HOFFMAN-LA ROCHE INC. (US) 2010-04-06 US disclosed
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP 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
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
US-20080085905-A1 Pyrazine-2-carboxamide derivatives F. HOFFMAN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO 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

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 CNR1 69/4885MAPT 4139/4885NAMPT 2091/4885
US-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 CNR1 2/4885MAPT 3285/4885NAMPT 1590/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR CNR1 69/4885MAPT 4139/4885NAMPT 2091/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR CNR1 69/4885MAPT 4139/4885NAMPT 2091/4885

“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.