SCHEMBL4332312

SCHEMBL4332312

O=C(NC(C1CC1)C1CC1)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.62
CYP11B2 P19099 3/20 0.43
RAD51 Q06609 2/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR4 Q13639 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP11B1 P15538 1/20 0.38
EGFR P00533 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ATR Q13535 1/20 0.36
GAA P10253 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL13578089 0.84 CNR2 (0.65) CNR2POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4323158 0.82 CNR2 (0.61) CNR2POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4333184 0.81 CNR2 (0.62) CNR2POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4335030 0.81 CNR2 (0.59) CNR2HTR4CYP3A4CYP2D6CNR1
SCHEMBL4329714 0.81 ATR (0.53) RAD51POLBHPGDMAPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4320252 0.80 CNR2 (0.61) CNR2POLBHPGDMAPK1SMN1; SMN2
SCHEMBL4318734 0.79 CNR2 (0.49) CNR2RAD51POLBHPGDMAPK1
SCHEMBL4326397 0.78 CNR2 (0.58) CNR2CNR1
SCHEMBL4329936 0.77 HTR4 (0.58) CNR2HTR4CYP3A4CYP2D6CNR1
SCHEMBL4326020 0.77 CNR2 (1.00) CNR2HTR4CYP3A4CYP2D6CNR1

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 1/4885CYP11B2 654/4885RAD51 4753/4885

“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.