SCHEMBL3656142

SCHEMBL3656142

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
CHRM4 P08173 2/20 0.50
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 4/20 0.46
SLC6A5 Q9Y345 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTT P42858 1/20 0.44
HTR2A P28223 1/20 0.44
CACNA1G O43497 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3661463 0.90 STAT3 (0.48) ADRB2CHRM4HIF1AEPAS1SLC6A5
SCHEMBL6519829 0.89 PSEN1 (0.49) ADRB2DRD4DRD2HIF1AEPAS1
SCHEMBL6525721 0.88 CHRM2 (0.49) ADRB2CHRM4DRD4DRD2CHRM2
SCHEMBL6523290 0.86 MEN1 (0.52) ADRB2CHRM1HTR2AKCNH2
SCHEMBL3657012 0.85 GSK3B (0.42) ADRB2DRD4DRD2PRKAA2KCNH2
SCHEMBL3711560 0.81 PARP1 (0.41) ADRB2CHRM4HIF1AEPAS1PRKAA2
SCHEMBL3801414 0.79 CHRM2 (0.41) CHRM4PRKAA2CHRM2CHRM1
SCHEMBL3808837 0.76 CHRM4 (0.49) CHRM4DRD4DRD2HIF1AEPAS1
SCHEMBL9596025 0.76 KCNH2 (0.48) KCNH2
SCHEMBL13894602 0.75 ADRB2 (0.49) ADRB2HIF1AEPAS1PRKAA2CACNA1G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 ADRB2 126/4885CHRM4 578/4885DRD4 984/4885

“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.