SCHEMBL4338423

SCHEMBL4338423

O=C(NC1(CO)CCCCC1)c1nc(N2CCOCC2)n2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.72
▸ CNR1 P21554 3/20 0.51
▸ HTR4 Q13639 11/20 0.40
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 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
SCHEMBL4323199 0.94 CNR2 (0.68) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL13578361 0.85 CNR2 (0.98) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL13578360 0.83 CNR2 (1.00) CNR2CNR1HTR4CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4327097 0.80 CNR2 (0.88) CNR2CNR1HTR4CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4322918 0.79 CNR2 (0.90) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4327335 0.78 CNR2 (0.59) CNR2CNR1
SCHEMBL13578366 0.78 CNR2 (0.70) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4318453 0.76 CNR2 (0.59) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4326041 0.76 CNR2 (0.46) CNR2CNR1HTR4CYP3A4CYP2D6
SCHEMBL4327358 0.76 CNR2 (0.64) CNR2CNR1

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 1 patent. 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

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 2/4885HTR4 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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