SCHEMBL4328005

SCHEMBL4328005

O=C(NC(c1cccnc1)C(F)(F)F)c1nc(C2CC2)n2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.59
CNR1 P21554 4/20 0.48
HTR4 Q13639 3/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4333370 0.90 CNR2 (0.66) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4320118 0.86 CNR2 (0.60) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4325229 0.84 CNR2 (0.51) CNR2CNR1
SCHEMBL4318734 0.83 CNR2 (0.49) CNR2CNR1
SCHEMBL4327406 0.83 CNR2 (0.66) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL13578108 0.81 CNR2 (0.48) CNR2CNR1
SCHEMBL4319969 0.81 CNR2 (0.48) CNR2CNR1
SCHEMBL13578348 0.81 CNR2 (0.73) CNR2CNR1CYP3A4
SCHEMBL13578251 0.80 CNR2 (0.46) CNR2CNR1HTR4CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4324531 0.79 CNR2 (0.70) CNR2CNR1CYP3A4

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 2/4885HTR4 254/4885

“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.