SCHEMBL3815469

SCHEMBL3815469

COCCN(C)c1ncc(C(=O)O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR1 P21554 6/20 0.43
SLC9A5 Q14940 2/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
BRCA1 P38398 1/20 0.39
HIF1A Q16665 1/20 0.39
PIK3CA P42336 2/20 0.39
ADK P55263 1/20 0.38
CFTR P13569 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL2703175 0.87 SLC9A5 (0.54) CNR1SLC9A5EGLN1
SCHEMBL3818676 0.84 CNR1 (0.44) CNR1SLC9A5CYP1A2CYP2C9CYP2C19
SCHEMBL3820627 0.83 SLC9A5 (0.41) CNR1SLC9A5
SCHEMBL3812733 0.80 CNR1 (0.48) CNR1SLC9A5
SCHEMBL3813679 0.79 CNR1 (0.46) MEN1KMT2ACNR1ALDH1A1CYP1A2
SCHEMBL3820603 0.78 CNR1 (0.45) CNR1ALDH1A1CYP1A2TSHRCASP1
SCHEMBL3844262 0.77 CNR1 (0.48) MEN1KMT2ACNR1EGLN1PPARD
SCHEMBL2704394 0.77 CNR1 (0.44) CNR1SLC9A5EGLN1CYP3A4CYP2C9
SCHEMBL2703218 0.75 CNR1 (0.45) CNR1SLC9A5ALDH1A1CYP1A2CASP1
SCHEMBL3820443 0.74 CNR1 (0.48) MEN1KMT2ACNR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP 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
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP 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 (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-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 MEN1 2733/4885KMT2A 1728/4885CNR1 1/4885

“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.