SCHEMBL4326573

SCHEMBL4326573

O=C(NC1(CO)CCOCC1)c1nc(-c2ccccc2O)c2ccccn12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 4/20 0.43
▸ CNR2 P34972 2/20 0.39
▸ HTR4 Q13639 6/20 0.38
▸ RORC P51449 3/20 0.38
▸ ANO1 Q5XXA6 1/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ EPAS1 Q99814 2/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.34
▸ MAP2K3 P46734 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
SCHEMBL4338454 0.89 DGAT2 (0.41) DGAT2CNR2HTR4RORCHIF1A
SCHEMBL4319243 0.89 DGAT2 (0.44) DGAT2CNR2HTR4RORCHIF1A
SCHEMBL4318960 0.89 DGAT2 (0.52) DGAT2CNR2HTR4RORCEPAS1
SCHEMBL4319062 0.87 RORC (0.42) DGAT2CNR2HTR4RORC
SCHEMBL4323561 0.87 HIF1A (0.46) DGAT2CNR2HTR4HIF1AEPAS1
SCHEMBL4339631 0.85 DGAT2 (0.41) DGAT2CNR2HTR4RORCHIF1A
SCHEMBL4327073 0.84 MAP2K3 (0.54) DGAT2CNR2HTR4RORCANO1
SCHEMBL4341697 0.84 DGAT2 (0.46) DGAT2CNR2RORCANO1
SCHEMBL4326426 0.84 DGAT2 (0.46) DGAT2CNR2HTR4RORC
SCHEMBL4325053 0.84 DGAT2 (0.39) DGAT2CNR2HTR4RORCHIF1A

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 DGAT2 2919/4885CNR2 1/4885HTR4 254/4885

“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.

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