SCHEMBL2894552

SCHEMBL2894552

COCc1noc(CN2CC(Oc3ccc(-c4ccc(C(N)=O)c(F)c4)nc3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 3/20 0.37
GPR119 Q8TDV5 3/20 0.36
MTOR P42345 1/20 0.36
AOC3 Q16853 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.34
SYK P43405 1/20 0.34
GRM2 Q14416 1/20 0.34
ATR Q13535 1/20 0.34
S1PR1 P21453 1/20 0.33
PARP10 Q53GL7 2/20 0.33
PARP14 Q460N5 1/20 0.33
PARP15 Q460N3 1/20 0.33
GRK2 P25098 1/20 0.33
GRK5 P34947 1/20 0.33
GRK1 Q15835 1/20 0.33

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
SCHEMBL2896254 0.92 GPR119 (0.39) ALDH1A1GPR119MTORMAPK1POLB
SCHEMBL2891303 0.90 S1PR1 (0.38) ALDH1A1GPR119MTORMAPK1POLB
SCHEMBL2895333 0.89 GPR119 (0.35) ALDH1A1GPR119MTORMAPK1POLB
SCHEMBL2895345 0.87 GPR119 (0.38) GRIN1GRIN2BALDH1A1GPR119MTOR
SCHEMBL2904085 0.87 GRM2 (0.40) GPR119MTORMAPK1GRM2PARP10
SCHEMBL13024338 0.86 MAPK1 (0.36) GPR119MTORMAPK1SCN9ASYK
SCHEMBL2895545 0.86 MAPK1 (0.40) GPR119MTORAOC3MAPK1GRM2
SCHEMBL2896029 0.84 GPR119 (0.38) GPR119MTORMAPK1SYKGRM2
SCHEMBL13024281 0.80 GPR119 (0.39) GPR119GRM2S1PR1
SCHEMBL2895794 0.80 GPR119 (0.36) GPR119MTORSCN9ASYKGRM2

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-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
WO-2009050523-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-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS GPR119, GIPR, GPR39 GRIN1 465/4885GRIN2B 504/4885ALDH1A1 1738/4885

“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.