SCHEMBL4318715

SCHEMBL4318715

O=C(NCC1(CO)CCCCC1)c1nc(-c2cccc(Cl)c2)n2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.57
▸ CNR1 P21554 1/20 0.56
▸ MAP3K14 Q99558 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ HTR4 Q13639 3/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ THRB P10828 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
SCHEMBL4323470 0.99 CNR2 (0.58) CNR2CNR1MAP3K14TP53HTR4
SCHEMBL4325990 0.97 CNR2 (0.56) CNR2CNR1MAP3K14HTR4CSNK2A2
SCHEMBL13578103 0.85 CNR2 (0.61) CNR2CNR1HTR4P2RX7
SCHEMBL13578104 0.84 CNR2 (0.62) CNR2CNR1HTR4
SCHEMBL13578182 0.83 CNR2 (0.52) CNR2CNR1MAP3K14TP53P2RX7
SCHEMBL13578101 0.82 CNR2 (0.60) CNR2CNR1HTR4
SCHEMBL4319869 0.81 CNR2 (0.43) CNR2CNR1MAP3K14TP53HTR4
Trifluoroacetic Acid SCHEMBL4319760 0.81 CNR2 (0.57) CNR2CNR1HTR4L3MBTL1
SCHEMBL4329126 0.81 HTR4 (0.44) CNR2CNR1MAP3K14HTR4CSNK2A2
Trifluoroacetic Acid SCHEMBL4334962 0.80 CNR2 (0.58) CNR2CNR1HTR4L3MBTL1

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 1/4885CNR1 2/4885MAP3K14 1432/4885

“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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