SCHEMBL3820443

SCHEMBL3820443

COc1ncc(C(=O)O)nc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.48
DHODH Q02127 3/20 0.43
CNR2 P34972 1/20 0.43
KMO O15229 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CDH1 P12830 1/20 0.40
APC P25054 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL3813679 0.85 CNR1 (0.46) CNR1CNR2KMOMRGPRX4CSNK2A2
SCHEMBL3820603 0.84 CNR1 (0.45) CNR1CNR2KMOMRGPRX4CSNK2A2
SCHEMBL3812233 0.83 CNR1 (0.46) CNR1DHODHCNR2KMOPTGDR2
SCHEMBL2703395 0.83 CNR1 (0.47) CNR1DHODHCNR2MRGPRX4CSNK2A2
SCHEMBL2702073 0.82 CNR1 (0.48) CNR1DHODHCNR2MRGPRX4CSNK2A2
SCHEMBL2704945 0.82 CNR1 (0.67) CNR1KMOCDH1APCCTNNB1
SCHEMBL2704734 0.81 CNR1 (0.46) CNR1CNR2MRGPRX4CSNK2A2CSNK2B
SCHEMBL2112602 0.80 CNR1 (0.44) CNR1DHODHCNR2KMOMRGPRX4
SCHEMBL440107 0.80 CNR1 (0.41) CNR1DHODHCNR2KMOMRGPRX4
SCHEMBL412106 0.80 CNR1 (0.41) CNR1DHODHCNR2KMOMRGPRX4

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 CNR1 1/4885DHODH 2781/4885CNR2 2/4885

“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.