SCHEMBL3805409

SCHEMBL3805409

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)nc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.44
CHRM4 P08173 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MCHR1 Q99705 1/20 0.40
PPARA Q07869 6/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
LIPE Q05469 1/20 0.38
EPHX2 P34913 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL12788143 0.88 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6525721 0.87 CHRM2 (0.49) PPARDCHRM4CHRM2CHRM5CHRM1
SCHEMBL3801414 0.85 CHRM2 (0.41) PPARDCHRM4CHRM2CHRM5CHRM1
SCHEMBL6519829 0.79 PSEN1 (0.49) MCHR1PRKAA2AXLMERTKPSEN1
SCHEMBL3808837 0.79 CHRM4 (0.49) CHRM4CHRM2CHRM1MCHR1PRKAB2
SCHEMBL3711560 0.77 PARP1 (0.41) CHRM4PRKAA2
SCHEMBL3805414 0.77 S1PR1 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3807842 0.77 CHRM2 (0.44) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL3657012 0.76 GSK3B (0.42) MCHR1PRKAA2AXLMERTKS1PR5
SCHEMBL3656142 0.75 ADRB2 (0.52) CHRM4CHRM2CHRM1PRKAB2PRKAG1

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 PPARD 111/4885CHRM4 578/4885CHRM2 473/4885

“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.