SCHEMBL6519829

SCHEMBL6519829

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
PARP1 P09874 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
CHEK1 O14757 1/20 0.45
CYP2C9 P11712 1/20 0.43
STAT3 P40763 1/20 0.43
ADRB2 P07550 1/20 0.43
HSD11B1 P28845 1/20 0.43
PRKAA2 P54646 2/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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 0.89 ADRB2 (0.52) HIF1AEPAS1ADRB2PRKAA2KCNH2
SCHEMBL3657012 0.87 GSK3B (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3661463 0.85 STAT3 (0.48) HIF1AEPAS1STAT3ADRB2PRKAA2
SCHEMBL6525721 0.83 CHRM2 (0.49) ADRB2MCHR1DRD2DRD4GSK3B
SCHEMBL3801414 0.80 CHRM2 (0.41) PARP1STAT3PRKAA2MCHR1GSK3B
SCHEMBL3711560 0.80 PARP1 (0.41) PARP1HIF1AEPAS1STAT3ADRB2
SCHEMBL3805409 0.79 PPARD (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3808837 0.78 CHRM4 (0.49) HIF1AEPAS1PRKAA2MCHR1DRD2
SCHEMBL6523290 0.75 MEN1 (0.52) ADRB2KCNH2MCHR1
SCHEMBL12788268 0.74 CHRM4 (0.43) PARP1STAT3

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 3 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
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 PSEN1 3819/4885PSEN2 3637/4885APH1B 2472/4885

“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.