SCHEMBL4339531

SCHEMBL4339531

O=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCS(O)(O)CC2)c2ccccn12

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.87
CNR1 P21554 6/20 0.87
DYRK1A Q13627 1/20 0.38
ACKR3 P25106 6/20 0.37
GRM5 P41594 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TAS2R14 Q9NYV8 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
SCHEMBL4339536 0.93 CNR2 (1.00) CNR2CNR1DYRK1AACKR3GRM5
SCHEMBL4327365 0.88 CNR2 (1.00) CNR2CNR1DYRK1AACKR3GRM5
SCHEMBL4334740 0.86 CNR1 (0.65) CNR2CNR1GRM5
SCHEMBL4320079 0.86 CNR2 (0.65) CNR2CNR1
SCHEMBL4331764 0.86 CNR2 (0.65) CNR2CNR1ACKR3DRD4DRD3
SCHEMBL4324651 0.84 CNR2 (0.63) CNR2CNR1DYRK1ADRD4DRD3
SCHEMBL4323159 0.84 CNR2 (0.74) CNR2CNR1ACKR3DRD4DRD3
SCHEMBL4327706 0.84 CNR1 (0.62) CNR2CNR1DRD4DRD3
SCHEMBL4328046 0.83 CNR1 (0.60) CNR2CNR1
SCHEMBL4323216 0.81 CNR2 (0.58) CNR2CNR1DRD4DRD3SIGMAR1

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 1 patent. 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

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 2/4885DYRK1A 1478/4885

“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.