SCHEMBL4341678

SCHEMBL4341678

O=C(NC1(CO)CCOCC1)c1nc(-c2cccc(Cl)c2)n2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.43
▸ MAP3K14 Q99558 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR4 Q13639 5/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL4321377 0.85 CNR2 (0.45) CNR2DGAT2KDM4EHTR4ALDH1A1
SCHEMBL13578210 0.84 RORC (0.41) CNR2MAP3K14DGAT2KDM4EANO1
Trifluoroacetic Acid SCHEMBL4327549 0.81 CASP3 (0.43) CNR2MAP3K14DGAT2L3MBTL1
SCHEMBL13578310 0.80 CSNK2A2 (0.42) CNR2MAP3K14KDM4EALDH1A1CSNK2A2
SCHEMBL4323470 0.79 CNR2 (0.58) CNR2MAP3K14KDM4EHTR4ALDH1A1
SCHEMBL4325990 0.79 CNR2 (0.56) CNR2MAP3K14KDM4EHTR4ALDH1A1
SCHEMBL4318715 0.78 CNR2 (0.57) CNR2MAP3K14KDM4EHTR4ALDH1A1
SCHEMBL4325971 0.78 DGAT2 (0.42) CNR2MAP3K14DGAT2ANO1HTR4
SCHEMBL13578278 0.77 KDM4E (0.52) CNR2KDM4EALDH1A1MAPT
SCHEMBL4329126 0.77 HTR4 (0.44) CNR2MAP3K14HTR4MAPTCSNK2A2

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 4 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
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
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 — — WO 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 1/4885MAP3K14 1432/4885DGAT2 2919/4885

“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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