SCHEMBL4330441

SCHEMBL4330441

O=C(Nc1cccc2cnccc12)c1nc(CN2CCC(F)(F)CC2)c2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.61
CNR1 P21554 6/20 0.61
TRPV1 Q8NER1 11/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4335140 0.91 CNR2 (0.67) CNR2CNR1MAPK1
SCHEMBL4323411 0.88 CNR1 (0.61) CNR2CNR1TRPV1ROCK2ROCK1
SCHEMBL4323408 0.88 CNR1 (0.52) CNR2CNR1TRPV1ROCK2ROCK1
SCHEMBL4334534 0.85 ROCK2 (0.46) CNR2CNR1ROCK2ROCK1
SCHEMBL4338481 0.83 CNR2 (0.64) CNR2CNR1
SCHEMBL4340056 0.81 CNR2 (0.68) CNR2CNR1
SCHEMBL4326414 0.80 CNR2 (0.68) CNR2CNR1
SCHEMBL4318966 0.80 TRPV1 (0.43) CNR2CNR1TRPV1MEN1MAPK1
SCHEMBL4330958 0.80 CNR2 (0.62) CNR2CNR1
SCHEMBL4468815 0.79 CNR2 (0.69) CNR2CNR1TRPV1

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 2/4885TRPV1 3/4885

“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.