SCHEMBL4320079

SCHEMBL4320079

Nc1cccc(NC(=O)c2nc(CN3CCS(O)(O)CC3)c3ccccn23)n1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.65
CNR1 P21554 6/20 0.65
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HTR4 Q13639 4/20 0.33
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL4320080 0.93 CNR2 (0.76) CNR2CNR1XIAPBIRC2NPC1
SCHEMBL4334740 0.89 CNR1 (0.65) CNR2CNR1NPC1TP53RAB9A
SCHEMBL4318798 0.87 CNR2 (0.77) CNR2CNR1XIAPBIRC2NPC1
SCHEMBL4327706 0.87 CNR1 (0.62) CNR2CNR1NPC1RAB9A
SCHEMBL4339531 0.86 CNR2 (0.87) CNR2CNR1
SCHEMBL4328046 0.85 CNR1 (0.60) CNR2CNR1NPC1RAB9AHTR3E
SCHEMBL4334584 0.82 CNR2 (0.57) CNR2CNR1NPC1TP53RAB9A
SCHEMBL4325256 0.81 CNR1 (0.56) CNR2CNR1
SCHEMBL4334779 0.81 CNR1 (0.56) CNR2CNR1NPC1TP53RAB9A
SCHEMBL4333051 0.81 CNR1 (0.56) CNR2CNR1NPC1TP53RAB9A

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 2/4885XIAP 4409/4885

“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.