SCHEMBL4325969

SCHEMBL4325969

O=C(NC(c1ccccn1)C(F)(F)F)c1nc(C(F)(F)F)c2ccccn12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.60
CNR1 P21554 7/20 0.59
SSTR4 P31391 1/20 0.37
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13578224 0.87 CNR2 (0.58) CNR2CNR1ALDH1A1
SCHEMBL13578154 0.84 CNR2 (0.56) CNR2CNR1
Trifluoroacetic Acid SCHEMBL4327715 0.84 CNR2 (0.56) CNR2CNR1
SCHEMBL13578199 0.83 CNR2 (0.54) CNR2CNR1ALDH1A1
Trifluoroacetic Acid SCHEMBL4325308 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL13578379 0.80 CNR2 (0.61) CNR2CNR1
Trifluoroacetic Acid SCHEMBL4324547 0.80 CNR2 (0.52) CNR2CNR1
SCHEMBL13578179 0.80 CNR2 (0.51) CNR2CNR1
SCHEMBL13578205 0.79 CNR2 (0.55) CNR2CNR1SSTR4ALDH1A1
SCHEMBL4330400 0.77 CNR2 (0.75) CNR2CNR1

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 1/4885CNR1 2/4885SSTR4 961/4885

“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.