SCHEMBL4320554

SCHEMBL4320554

O=C(NC12CC3CC(CC(O)(C3)C1)C2)c1nc(C2CCCN2)n2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
OGFRL1 Q5TC84 2/20 0.38
CNR1 P21554 5/20 0.37
EPHX2 P34913 2/20 0.37
DPP7 Q9UHL4 1/20 0.37
OPRL1 P41146 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4333078 0.91 CNR2 (0.45) CNR2CNR1
SCHEMBL14143135 0.83 CNR2 (0.40) CNR2OGFRL1CNR1OPRL1TAAR1
SCHEMBL4323179 0.78 CNR2 (0.45) CNR2CNR1TAAR1
SCHEMBL13578281 0.76 CNR2 (0.61) CNR2CNR1ALDH1A1
SCHEMBL4331158 0.75 CNR2 (0.42) CNR2IRAK4CNR1DPP7DPP8
SCHEMBL4318978 0.73 CNR1 (0.47) CNR2IRAK4CNR1EPHX2DPP7
Trifluoroacetic Acid SCHEMBL4322761 0.71 CNR2 (0.58) CNR2CNR1
SCHEMBL13578376 0.69 CNR2 (0.61) CNR2CNR1
SCHEMBL4325919 0.69 CNR2 (0.56) CNR2CNR1ALDH1A1
SCHEMBL14143325 0.69 CNR2 (0.50) CNR2CNR1ALDH1A1

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 3 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

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 1/4885IRAK4 426/4885OGFRL1 883/4885

“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.