SCHEMBL4332898

SCHEMBL4332898

O=C(NC1(CO)CCOCC1)c1nc(-c2ccc(C(F)(F)F)cc2)c2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ RORC P51449 8/20 0.42
▸ MAP2K3 P46734 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ HTR4 Q13639 2/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4331192 0.90 CNR2 (0.43) HIF1AEPAS1RORCPPARGDGAT2
SCHEMBL13578207 0.90 DGAT2 (0.46) RORCMAP2K3DGAT2CNR2CNR1
SCHEMBL4327073 0.89 MAP2K3 (0.54) HIF1AEPAS1RORCMAP2K3DGAT2
Trifluoroacetic Acid SCHEMBL4329958 0.89 DGAT2 (0.43) HIF1AEPAS1RORCMAP2K3PPARG
SCHEMBL4330621 0.88 RORC (0.42) RORCMAP2K3PPARGDGAT2CNR2
SCHEMBL4334549 0.88 HIF1A (0.45) HIF1AEPAS1RORCMAP2K3DGAT2
SCHEMBL4335727 0.87 RORC (0.44) HIF1AEPAS1RORCPPARGDGAT2
SCHEMBL4338513 0.86 RORC (0.45) RORCPPARGDGAT2CNR2CNR1
SCHEMBL4322950 0.86 RORC (0.47) RORCPPARGDGAT2
SCHEMBL4327617 0.86 MAP2K3 (0.46) RORCMAP2K3PPARGDGAT2CNR2

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 HIF1A 383/4885EPAS1 1743/4885RORC 135/4885

“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.

Send feedback