SCHEMBL4326567

SCHEMBL4326567

O=C(c1ccc(C(F)(F)F)cc1)c1nc(CN2CCOCC2)c2ccccn12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.68
CNR1 P21554 5/20 0.68
HIF1A Q16665 6/20 0.47
EPAS1 Q99814 6/20 0.47
CD274 Q9NZQ7 1/20 0.43
KCNH2 Q12809 1/20 0.42
SLC2A1 P11166 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4326760 0.89 CNR2 (0.67) CNR2CNR1SIGMAR1DRD4DRD3
SCHEMBL3058529 0.89 CNR1 (0.66) CNR2CNR1CD274SLC2A1ALDH1A1
SCHEMBL4461480 0.88 CNR1 (0.69) CNR2CNR1HIF1AEPAS1ALDH1A1
SCHEMBL4326889 0.87 CNR1 (0.70) CNR2CNR1CD274KCNH2SLC2A1
SCHEMBL4327251 0.86 CNR2 (0.73) CNR2CNR1KCNH2SIGMAR1DRD4
SCHEMBL4341215 0.85 CNR1 (0.62) CNR2CNR1ALDH1A1RAB9A
SCHEMBL4331773 0.84 CNR1 (0.63) CNR2CNR1RAB9A
SCHEMBL13578113 0.82 CNR2 (0.65) CNR2CNR1ALDH1A1HTTRAB9A
SCHEMBL4333108 0.82 CNR1 (0.66) CNR2CNR1SLC2A1SIGMAR1DRD4
SCHEMBL2743123 0.81 CNR1 (0.68) CNR2CNR1HIF1ASLC2A1ALDH1A1

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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885HIF1A 383/4885

“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.