SCHEMBL2115045

SCHEMBL2115045

Cc1nocc1C(=O)Nc1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
SCN10A Q9Y5Y9 5/20 0.41
GCGR P47871 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PTGS2 P35354 1/20 0.40
NR3C1 P04150 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAF1 P04049 4/20 0.39
BRAF P15056 4/20 0.39
P2RX3 P56373 1/20 0.39
LCLAT1 Q6UWP7 1/20 0.39
KCNH2 Q12809 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL17866267 0.86 CNR1 (0.44) CNR1SCN10ASCN5ASCN2APTGS2
SCHEMBL2114624 0.84 CNR1 (0.48) CNR1SCN10ASCN5ASCN2APTGS2
SCHEMBL2112797 0.84 CNR1 (0.49) CNR1PTGS2
SCHEMBL2113765 0.84 LMNA (0.50) CNR1SCN5ASCN9APTGS2NR3C1
SCHEMBL2113240 0.84 CNR1 (0.47) CNR1L3MBTL1RAF1BRAFAKR1C3
SCHEMBL2112015 0.83 CNR1 (0.49) CNR1SCN10AGCGRSCN5ASCN2A
SCHEMBL2113753 0.83 CNR1 (0.48) CNR1SCN10ASCN5ASCN2APTGS2
SCHEMBL2112615 0.81 CNR1 (0.51) CNR1SCN10ASCN5ASCN2ASCN9A
SCHEMBL2115870 0.81 CNR1 (0.56) CNR1SCN10ASCN5ASCN2APTGS2
SCHEMBL2113429 0.81 CNR1 (0.50) CNR1SCN10ASCN5ASCN2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US claimed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US 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 (1 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 CNR1 68/4885SCN10A 2120/4885GCGR 842/4885

“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.