SCHEMBL3801414

SCHEMBL3801414

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PARP1 P09874 1/20 0.41
CHRM4 P08173 2/20 0.39
STAT3 P40763 4/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
MTOR P42345 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
SCN9A Q15858 1/20 0.38
PRKAA2 P54646 1/20 0.38
P2RX7 Q99572 1/20 0.38
CCR2 P41597 1/20 0.38
GSK3B P49841 1/20 0.38
KDM1A O60341 1/20 0.38
MCHR1 Q99705 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL3711560 0.92 PARP1 (0.41) PARP1CHRM4STAT3GPR119PRKAA2
SCHEMBL3807842 0.91 CHRM2 (0.44) CHRM2CHRM5CHRM1CHRM3PARP1
SCHEMBL3658326 0.89 LIPG (0.45) STAT3PPARAPRKAA2
SCHEMBL6525721 0.89 CHRM2 (0.49) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL3654712 0.88 GPR119 (0.40) PARP1STAT3GPR119PRKAA2
SCHEMBL3662088 0.88 STAT3 (0.41) PARP1STAT3GPR119PRKAA2
SCHEMBL12846935 0.87 CHRM2 (0.43) CHRM2CHRM5CHRM1CHRM3PARP1
SCHEMBL3805215 0.87 GPR119 (0.44) PARP1STAT3GPR119SCN9APRKAA2
SCHEMBL3805409 0.85 PPARD (0.44) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6525052 0.85 STAT3 (0.42) STAT3PRKAA2MCHR1

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 CHRM2 473/4885CHRM5 616/4885CHRM1 534/4885

“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.