SCHEMBL4331096

SCHEMBL4331096

Cc1cc(C)nc(NC(=O)c2nc(CN3CCC(O)C3)c3ccccn23)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
PDE10A Q9Y233 7/20 0.42
TRPV1 Q8NER1 1/20 0.39
PHGDH O43175 4/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
JAK1 P23458 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL4319768 0.89 CNR1 (0.55) CNR1CNR2PDE10AOPRM1OPRD1
SCHEMBL4336447 0.84 CNR2 (0.67) CNR1CNR2TRPV1PHGDH
SCHEMBL4325256 0.84 CNR1 (0.56) CNR1CNR2TRPV1PHGDH
SCHEMBL4325260 0.84 CNR1 (0.66) CNR1CNR2TRPV1PHGDH
SCHEMBL4333479 0.84 CNR1 (0.52) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL4328685 0.82 CNR1 (0.48) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL4327245 0.81 CNR1 (0.44) CNR1CNR2PDE10AOPRM1OPRD1
SCHEMBL4327410 0.80 CNR1 (0.47) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL4323159 0.80 CNR2 (0.74) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL13578116 0.78 CNR2 (0.48) CNR1CNR2OPRM1OPRD1OPRK1

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 CNR1 2/4885CNR2 1/4885PDE10A 1007/4885

“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.