SCHEMBL4329936

SCHEMBL4329936

O=C(NCC1CCOCC1)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 14/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
GSK3B P49841 1/20 0.54
KCNH2 Q12809 1/20 0.54
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
AOC2 O75106 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL4334535 0.84 HTR4 (0.48) HTR4CYP2D6
SCHEMBL4327243 0.79 ALDH1A1 (0.55) ADORA2A
SCHEMBL4332312 0.77 CNR2 (0.62) HTR4CYP3A4CYP2D6CNR1CNR2
SCHEMBL13578354 0.77 CNR2 (0.64) HTR4CYP3A4CYP2D6KCNH2CNR1
SCHEMBL4332986 0.77 RAB9A (0.47) CNR1CNR2ADORA2A
SCHEMBL4325871 0.77 RAB9A (0.46) ADORA2AADORA2B
SCHEMBL4331382 0.75 ADORA2A (0.46) ADORA2A
SCHEMBL4329714 0.74 ATR (0.53) CYP3A4
SCHEMBL4326397 0.74 CNR2 (0.58) CNR1CNR2
SCHEMBL4319159 0.74 ADORA2A (0.45) ADORA2A

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 HTR4 254/4885CYP3A4 761/4885CYP2D6 888/4885

“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.