SCHEMBL2702008

SCHEMBL2702008

Cn1ccnc1COc1ncc(C(=O)O)cc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.46
TACR2 P21452 1/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CTSA P10619 2/20 0.42
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2703443 0.90 CNR1 (0.47) CNR1TACR2CTSACNR2MEN1
SCHEMBL2703237 0.81 CNR1 (0.74) CNR1TACR2CNR2
SCHEMBL1377997 0.79 CNR1 (0.57) CNR1TACR2CNR2
SCHEMBL1378004 0.79 CNR1 (0.57) CNR1TACR2CNR2
SCHEMBL411087 0.78 CNR1 (0.51) CNR1TACR2CTSACNR2
SCHEMBL16554974 0.76 CTSA (0.56) CNR1TACR2CTSA
SCHEMBL30791383 0.76 CTSA (0.56) CNR1TACR2CTSA
SCHEMBL2703056 0.76 CNR1 (0.63) CNR1TACR2CTSACNR2
SCHEMBL440662 0.74 CNR1 (0.62) CNR1TACR2CTSACNR2
SCHEMBL442354 0.73 CNR1 (0.67) CNR1TACR2CNR2

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 12 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
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-1868999-B1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS HOFFMANN LA ROCHE (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
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US disclosed
US-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US disclosed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 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 69/4885TACR2 3356/4885KDM5A 2676/4885
US-20060229326-A1 Pyridine-3-carboxamide derivatives as CB1 inverse agonists CNR1, CNR2, GPR119 CNR1 1/4885TACR2 186/4885KDM5A 1276/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR CNR1 69/4885TACR2 3356/4885KDM5A 2676/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR CNR1 69/4885TACR2 3356/4885KDM5A 2676/4885

“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.