SCHEMBL6520829

SCHEMBL6520829

Cc1cc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.42
ADRB2 P07550 1/20 0.41
PRKAA2 P54646 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GPR52 Q9Y2T5 2/20 0.39
S1PR1 P21453 2/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CASP1 P29466 1/20 0.38
PDGFRA P16234 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MLNR O43193 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
SCHEMBL3659855 0.92 STAT3 (0.45) STAT3ADRB2PRKAA2S1PR1LPL
SCHEMBL3659359 0.91 STAT3 (0.43) STAT3ADRB2PRKAA2PARP1
SCHEMBL3662088 0.91 STAT3 (0.41) STAT3ADRB2PRKAA2PARP1PARP2
SCHEMBL6519504 0.90 PARP1 (0.45) STAT3ADRB2PRKAA2PARP1
SCHEMBL6520781 0.89 ADRB2 (0.41) STAT3ADRB2PRKAA2PARP1
SCHEMBL12788271 0.89 STAT3 (0.44) STAT3ADRB2PRKAA2MLNR
SCHEMBL3711560 0.89 PARP1 (0.41) STAT3ADRB2PRKAA2PARP1
SCHEMBL3660709 0.89 ADRB2 (0.52) STAT3ADRB2PRKAA2MLNR
SCHEMBL12788269 0.89 ADRB2 (0.50) STAT3ADRB2PRKAA2MLNR
SCHEMBL12788268 0.87 CHRM4 (0.43) STAT3PARP1GPR52

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 4 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
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 1637/4885ADRB2 126/4885PRKAA2 2341/4885

“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.