SCHEMBL3661463

SCHEMBL3661463

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 11/20 0.48
PRKAA2 P54646 2/20 0.46
ADRB2 P07550 1/20 0.45
CHRM4 P08173 1/20 0.42
MLNR O43193 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL3656142 0.90 ADRB2 (0.52) PRKAA2ADRB2CHRM4SLC6A5HIF1A
SCHEMBL3711560 0.86 PARP1 (0.41) STAT3PRKAA2ADRB2CHRM4HIF1A
SCHEMBL6519829 0.85 PSEN1 (0.49) STAT3PRKAA2ADRB2HIF1AEPAS1
SCHEMBL3801414 0.84 CHRM2 (0.41) STAT3PRKAA2CHRM4
SCHEMBL3657012 0.81 GSK3B (0.42) PRKAA2ADRB2
SCHEMBL6519504 0.79 PARP1 (0.45) STAT3PRKAA2ADRB2CHRM4HIF1A
SCHEMBL6525721 0.79 CHRM2 (0.49) ADRB2CHRM4
SCHEMBL12788268 0.78 CHRM4 (0.43) STAT3CHRM4SLC6A5
SCHEMBL3659359 0.78 STAT3 (0.43) STAT3PRKAA2ADRB2HIF1AEPAS1
SCHEMBL6520781 0.78 ADRB2 (0.41) STAT3PRKAA2ADRB2CHRM4HIF1A

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 STAT3 1637/4885PRKAA2 2341/4885ADRB2 126/4885

“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.