SCHEMBL3814525

SCHEMBL3814525

O=C(O)c1cnc(OCC2CCCC2)c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.51
CNR2 P34972 3/20 0.51
MDM2 Q00987 2/20 0.43
MGLL Q99685 1/20 0.41
ACACB O00763 1/20 0.41
XDH P47989 2/20 0.40
SYK P43405 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAP4K4 O95819 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL2703460 0.96 CNR2 (0.50) CNR1CNR2MDM2ACACBSYK
SCHEMBL3811888 0.85 CNR1 (0.67) CNR1CNR2XDH
SCHEMBL3818740 0.85 CNR2 (0.48) CNR1CNR2
SCHEMBL3818299 0.85 CNR2 (0.48) CNR1CNR2
SCHEMBL3818296 0.85 CNR2 (0.48) CNR1CNR2
SCHEMBL2702331 0.83 CNR2 (0.53) CNR1CNR2ACACBKDM1A
SCHEMBL3818568 0.83 PTGS2 (0.41) GPBAR1MAP4K4PTGS2
SCHEMBL2703647 0.83 CNR1 (0.49) CNR1CNR2KDM1AMAOB
SCHEMBL2116976 0.81 CNR1 (0.66) CNR1CNR2
SCHEMBL2703719 0.79 KDM4E (0.41) TRPV1

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 1/4885CNR2 2/4885MDM2 4356/4885

“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.