SCHEMBL4332528

SCHEMBL4332528

O=C(NC(C1CC1)C1CC1)c1nc(C(F)(F)F)c2ccccn12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.56
SSTR4 P31391 1/20 0.44
HTR4 Q13639 6/20 0.39
RORC P51449 4/20 0.39
CNR1 P21554 3/20 0.38
MMP12 P39900 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
Trifluoroacetic Acid SCHEMBL4341766 0.83 CNR2 (0.55) CNR2HTR4RORCCNR1
SCHEMBL13578220 0.82 CNR2 (0.59) CNR2HTR4RORCCNR1
SCHEMBL4334827 0.80 CNR2 (0.53) CNR2SSTR4HTR4RORCCNR1
Trifluoroacetic Acid SCHEMBL4320381 0.79 CNR2 (0.51) CNR2HTR4RORC
Trifluoroacetic Acid SCHEMBL4325899 0.79 MAP2K3 (0.54) CNR2HTR4RORC
SCHEMBL13578002 0.79 CNR2 (0.53) CNR2HTR4RORC
SCHEMBL4325454 0.78 SSTR4 (0.44) CNR2SSTR4RORCCNR1
SCHEMBL13578142 0.77 MAP2K3 (0.60) CNR2HTR4RORCCNR1
Trifluoroacetic Acid SCHEMBL4341502 0.76 CNR2 (0.48) CNR2RORC
SCHEMBL4325969 0.76 CNR2 (0.60) CNR2SSTR4CNR1

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 1/4885SSTR4 961/4885HTR4 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.