SCHEMBL2887199

SCHEMBL2887199

COc1ccc(CN2CC(Oc3ccc(-c4ccc(S(C)(=O)=O)nc4)cc3)C2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
TACR1 P25103 1/20 0.38
PDE2A O00408 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GAA P10253 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
SCHEMBL4348326 0.85 KCNH2 (0.50) KCNH2MCHR1
SCHEMBL4349396 0.85 PRKAA2 (0.45) KCNH2MCHR1KDM4EKMT2AALDH1A1
SCHEMBL4533849 0.85 MCHR1 (0.42) KCNH2MCHR1
SCHEMBL4351887 0.80 KCNJ1 (0.45) KCNH2MCHR1
SCHEMBL4353675 0.80 RORC (0.44) KCNH2MCHR1SMN1; SMN2GAA
SCHEMBL3892630 0.80 NAAA (0.43) KCNH2MCHR1
SCHEMBL14403832 0.79 KCNH2 (0.41) KCNH2MCHR1
SCHEMBL13269800 0.79 GPR119 (0.39) KCNH2MCHR1
SCHEMBL4345654 0.79 RORC (0.43) KCNH2MCHR1
SCHEMBL4347016 0.79 NPC1 (0.48) KDM4EMAPK1KMT2AALDH1A1TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010485-B1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2012-10-17 EP disclosed
EP-2010485-B1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2012-10-17 EP 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
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
EP-2215078-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
WO-2009050523-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050523-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
EP-2010485-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS Prosidion Limited (GB) 2009-01-07 EP disclosed
WO-2007116230-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2007-10-18 WO disclosed
WO-2007116230-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2007-10-18 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 (2 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-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists GPR119, GPR39, GIPR KCNH2 695/4885MCHR1 132/4885KDM4E 2604/4885
US-20100286110-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS GPR119, GIPR, GPR39 KCNH2 841/4885MCHR1 83/4885KDM4E 2585/4885

“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.