SCHEMBL4332931

SCHEMBL4332931

O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1nc(CN2CCC(F)(F)CC2)c2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.63
CNR1 P21554 6/20 0.63
SORT1 Q99523 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4318754 0.90 CNR2 (0.60) CNR2CNR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4325110 0.85 CNR2 (0.73) CNR2CNR1GAA
SCHEMBL4321720 0.84 CNR2 (0.70) CNR2CNR1
SCHEMBL4341751 0.81 CNR2 (0.64) CNR2CNR1ALDH1A1
SCHEMBL4334472 0.80 CNR2 (0.68) CNR2CNR1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4468815 0.79 CNR2 (0.69) CNR2CNR1ALDH1A1KDM4E
SCHEMBL4340056 0.79 CNR2 (0.68) CNR2CNR1
SCHEMBL4331185 0.78 CNR1 (0.51) CNR2CNR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4331188 0.78 CNR1 (0.59) CNR2CNR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4323374 0.78 CNR2 (0.75) CNR2CNR1SCN10AGAA

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 2/4885SORT1 4773/4885

“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.