SCHEMBL4331158

SCHEMBL4331158

O=C(NC12CC3CC(CC(O)(C3)C1)C2)c1nc(Cc2ccncc2)n2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.42
CNR1 P21554 7/20 0.42
ALDH1A1 P00352 2/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38

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
SCHEMBL4318978 0.90 CNR1 (0.47) CNR2CNR1DPP7IRAK4DPP8
SCHEMBL13578270 0.76 CNR2 (0.52) CNR2CNR1ALDH1A1MEN1GAA
SCHEMBL4320554 0.75 CNR2 (0.41) CNR2CNR1ALDH1A1DPP7IRAK4
SCHEMBL3899250 0.75 CNR2 (0.59) CNR2CNR1
SCHEMBL3901927 0.73 CNR2 (0.57) CNR2CNR1
SCHEMBL4321929 0.72 NAMPT (0.44) ALDH1A1MEN1HTTKMT2A
SCHEMBL3908006 0.72 CNR2 (0.62) CNR2CNR1ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4327467 0.71 CNR2 (0.47) CNR2CNR1ALDH1A1MEN1GAA
SCHEMBL4326784 0.71 PDE4A (0.51)
SCHEMBL4331265 0.71 CHRNB2 (0.41) CNR2CNR1ALDH1A1MEN1HTT

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 2 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

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 2/4885ALDH1A1 2838/4885

“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.