SCHEMBL3657012

SCHEMBL3657012

CCNC(=O)c1ncc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
AXL P30530 2/20 0.41
MERTK Q12866 2/20 0.41
ACACB O00763 1/20 0.41
ADRB2 P07550 1/20 0.40
CHEK1 O14757 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKAA2 P54646 1/20 0.40
SSTR5 P35346 1/20 0.39
PARP1 P09874 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ENPP2 Q13822 2/20 0.39

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
SCHEMBL6519829 0.87 PSEN1 (0.49) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL3656142 0.85 ADRB2 (0.52) ADRB2PRKAA2KCNH2DRD2DRD4
SCHEMBL3711560 0.83 PARP1 (0.41) GSK3BADRB2PRKAA2SSTR5PARP1
SCHEMBL3661463 0.81 STAT3 (0.48) ADRB2PRKAA2
SCHEMBL6525721 0.81 CHRM2 (0.49) GSK3BACACBADRB2S1PR5MCHR1
SCHEMBL3801414 0.78 CHRM2 (0.41) GSK3BPRKAA2PARP1MCHR1
SCHEMBL3805409 0.76 PPARD (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6519504 0.76 PARP1 (0.45) ADRB2PRKAA2PARP1KCNH2
SCHEMBL12788268 0.75 CHRM4 (0.43) SSTR5PARP1
SCHEMBL3659359 0.75 STAT3 (0.43) ADRB2PRKAA2PARP1

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 GSK3B 4725/4885PSEN1 3819/4885PSEN2 3637/4885

“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.