SCHEMBL4321377

SCHEMBL4321377

O=C(NC1(CO)CCOCC1)c1nc(-c2cncnc2)n2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.45
▸ HTR4 Q13639 11/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 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
SCHEMBL4341678 0.85 CNR2 (0.43) CNR2HTR4DGAT2KDM4EALDH1A1
SCHEMBL4323199 0.80 CNR2 (0.68) CNR2HTR4CNR1DGAT2CYP3A4
SCHEMBL4318453 0.80 CNR2 (0.59) CNR2HTR4CNR1CYP3A4CYP2D6
SCHEMBL4326041 0.80 CNR2 (0.46) CNR2HTR4CNR1DGAT2CYP3A4
SCHEMBL4334636 0.76 RAD51 (0.43) CNR2HTR4CNR1DGAT2ALDH1A1
SCHEMBL4327073 0.74 MAP2K3 (0.54) CNR2HTR4CNR1DGAT2KDM4E
SCHEMBL4338423 0.74 CNR2 (0.72) CNR2HTR4CNR1CYP3A4CYP2D6
SCHEMBL4334549 0.74 HIF1A (0.45) CNR2HTR4DGAT2KDM4EALDH1A1
SCHEMBL4330621 0.72 RORC (0.42) CNR2HTR4CNR1DGAT2KDM4E
SCHEMBL13578207 0.72 DGAT2 (0.46) CNR2HTR4CNR1DGAT2KDM4E

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 1/4885HTR4 254/4885CNR1 2/4885

“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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