SCHEMBL4325619

SCHEMBL4325619

O=C(NCCO)c1ccc(-c2nc(C(=O)NC3(CO)CCOCC3)n3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ HPGDS O60760 4/20 0.42
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RORC P51449 4/20 0.39
▸ DGAT2 Q96PD7 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MAP2K3 P46734 1/20 0.37
▸ HTR4 Q13639 3/20 0.37

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
SCHEMBL4327617 0.88 MAP2K3 (0.46) RORCDGAT2CNR2MAP2K3HTR4
SCHEMBL4330621 0.86 RORC (0.42) GAARORCDGAT2CNR2MAP2K3
SCHEMBL4334549 0.86 HIF1A (0.45) RORCDGAT2CNR2MAP2K3HTR4
SCHEMBL13578207 0.86 DGAT2 (0.46) RORCDGAT2HPGDCNR2MAP2K3
SCHEMBL4333399 0.86 RORC (0.40) L3MBTL1RORCDGAT2HPGDCNR2
SCHEMBL4332898 0.86 HIF1A (0.47) RORCDGAT2CD274CNR2MAP2K3
SCHEMBL4327073 0.85 MAP2K3 (0.54) RORCDGAT2CNR2MAP2K3HTR4
SCHEMBL4324747 0.84 OPRD1 (0.41) L3MBTL1RORCDGAT2HPGDCNR2
SCHEMBL4330451 0.84 HIF1A (0.46) RORCDGAT2CD274CNR2MAP2K3
SCHEMBL4335846 0.84 HIF1A (0.46) L3MBTL1RORCCNR2MAP2K3HTR4

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 GAA 4553/4885HPGDS 562/4885AKT1 2591/4885

“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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