SCHEMBL2703115

SCHEMBL2703115

CC(C)CCN(C)c1ncc(C(=O)O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A5 Q14940 5/20 0.46
CNR1 P21554 2/20 0.38
DHODH Q02127 1/20 0.37
MDM2 Q00987 1/20 0.37
SMO Q99835 1/20 0.36
CASR P41180 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PTPN1 P18031 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3817351 0.87 ABL1 (0.40) CNR1PPARGPPARDPPARAGRIN2B
SCHEMBL3818676 0.86 CNR1 (0.44) SLC9A5CNR1PTGER1
SCHEMBL3818236 0.81 CKS1B (0.42) SLC9A5CNR1DHODHSMOCASR
SCHEMBL4012496 0.80 CNR1 (0.40) SLC9A5CNR1CASRSCN9ASCN10A
SCHEMBL3820915 0.78 CNR1 (0.39) CNR1DHODHSMOCASRPSEN1
SCHEMBL3822532 0.78 SMO (0.40) SLC9A5DHODHSMOCASRPPARD
SCHEMBL2703175 0.73 SLC9A5 (0.54) SLC9A5CNR1
SCHEMBL2703728 0.71 DHODH (0.43) DHODHSMOPTPN1PTGDR2PTGER1
SCHEMBL3815469 0.70 MEN1 (0.43) SLC9A5CNR1PPARDPPARA
SCHEMBL3818568 0.70 PTGS2 (0.41) DHODHSMOPPARDPTPN1PTGDR2

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 19 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
CN-101460468-B 2-pyrazinecarboxamide derivatives HOFFMANN LA ROCHE 2012-05-30 CN 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
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 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
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
CN-101460468-A 2-pyrazinecarboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-06-17 CN disclosed
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS ANDJELKOVIC MIRJANA 2009-06-04 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 EP disclosed
CN-101273026-A Indane derivatives as MCH receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2007147746-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-12-20 US disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 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 SLC9A5 2101/4885CNR1 69/4885DHODH 2363/4885
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 SLC9A5 889/4885CNR1 1/4885DHODH 2781/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR SLC9A5 2101/4885CNR1 69/4885DHODH 2363/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR SLC9A5 2101/4885CNR1 69/4885DHODH 2363/4885

“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.