SCHEMBL3818299

SCHEMBL3818299

O=C(O)c1cnc(OCC2CCCO2)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
TSHR P16473 1/20 0.46
CNR1 P21554 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
SCN9A Q15858 1/20 0.42
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
GRM4 Q14833 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3818740 1.00 CNR2 (0.48) CNR2TSHRCNR1NPSR1POLB
SCHEMBL3818296 1.00 CNR2 (0.48) CNR2TSHRCNR1NPSR1POLB
SCHEMBL3816753 0.89 GRM5 (0.45) CNR2TSHRCNR1NPSR1POLB
SCHEMBL2702366 0.87 CNR2 (0.52) CNR2TSHRCNR1NPSR1POLB
SCHEMBL2703860 0.87 CNR2 (0.52) CNR2TSHRCNR1NPSR1POLB
SCHEMBL2702362 0.87 CNR2 (0.52) CNR2TSHRCNR1NPSR1POLB
SCHEMBL3814525 0.85 CNR1 (0.51) CNR2CNR1
SCHEMBL2703460 0.84 CNR2 (0.50) CNR2CNR1
SCHEMBL3924497 0.83 CNR2 (0.44) CNR2TSHRCNR1SCN9ASCN10A
SCHEMBL3818568 0.79 PTGS2 (0.41) PPARD

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 4 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
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-12-20 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-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 CNR2 2/4885TSHR 268/4885CNR1 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.