SCHEMBL4334534

SCHEMBL4334534

O=C(Nc1cccc2cnccc12)c1nc(CN2CCC(O)C2)c2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.46
ROCK1 Q13464 7/20 0.45
CCR2 P41597 6/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44

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
SCHEMBL13578257 0.85 ROCK2 (0.46) ROCK2ROCK1CCR2
SCHEMBL4330441 0.85 CNR2 (0.61) ROCK2ROCK1CNR1CNR2
SCHEMBL4323408 0.85 CNR1 (0.52) ROCK2ROCK1CNR1CNR2
SCHEMBL4323411 0.85 CNR1 (0.61) ROCK2ROCK1CNR1CNR2
SCHEMBL4327410 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL4333479 0.80 CNR1 (0.52) CNR1CNR2
SCHEMBL4319768 0.78 CNR1 (0.55) CNR1CNR2
SCHEMBL4328685 0.78 CNR1 (0.48) CNR1CNR2
SCHEMBL4323159 0.76 CNR2 (0.74) CNR1CNR2
SCHEMBL13578116 0.76 CNR2 (0.48) CNR1CNR2

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 ROCK2 2727/4885ROCK1 2814/4885CCR2 138/4885

“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.