SCHEMBL3662088

SCHEMBL3662088

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.41
PRKAA2 P54646 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ADRB2 P07550 1/20 0.40
S1PR1 P21453 2/20 0.39
DHODH Q02127 1/20 0.39
CASP1 P29466 1/20 0.39
S1PR5 Q9H228 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PDGFRA P16234 1/20 0.39
GPR119 Q8TDV5 2/20 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
SCHEMBL3658326 0.93 LIPG (0.45) STAT3PRKAA2ADRB2S1PR1S1PR5
SCHEMBL6521815 0.92 GPR119 (0.40) STAT3PARP1S1PR1S1PR5GPR119
SCHEMBL6521804 0.91 CHRM2 (0.44) STAT3GPR119
SCHEMBL6520829 0.91 STAT3 (0.42) STAT3PRKAA2PARP1PARP2ADRB2
SCHEMBL6519362 0.90 GPR119 (0.45) PARP1ADRB2S1PR1S1PR5GPR119
SCHEMBL6521689 0.88 ADRB2 (0.49) STAT3PRKAA2ADRB2
SCHEMBL6525052 0.88 STAT3 (0.42) STAT3PRKAA2ADRB2
SCHEMBL3659573 0.88 ADRB2 (0.51) STAT3PRKAA2ADRB2
SCHEMBL3654712 0.88 GPR119 (0.40) STAT3PRKAA2PARP1ADRB2S1PR1
SCHEMBL6525462 0.88 SMN1; SMN2 (0.43) PARP1S1PR1S1PR5GPR119

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 6 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
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 2341/4885PARP1 4791/4885

“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.