SCHEMBL1005437

SCHEMBL1005437

CCc1cnc(N2CCC(Oc3ccc(CN4CCN(S(C)(=O)=O)CC4)c(F)c3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.52
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.43
CYP3A4 P08684 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL1006434 0.90 GPR119 (0.53) GPR119KDM4ENPC1RAB9A
SCHEMBL1005382 0.90 GPR119 (0.52) GPR119KDM4ENPC1RAB9A
SCHEMBL1006206 0.89 GPR119 (0.51) GPR119KDM4ENPC1RAB9A
SCHEMBL1006066 0.86 GPR119 (0.53) GPR119KDM4ENPC1RAB9AADRB2
SCHEMBL1005469 0.85 GPR119 (0.45) GPR119KDM4ENPC1RAB9ARORC
SCHEMBL1007689 0.84 GPR119 (0.51) GPR119KCNH2KDM4ENPC1RAB9A
SCHEMBL1004810 0.83 GPR119 (0.48) GPR119KCNH2KDM4ENPC1RAB9A
SCHEMBL1003899 0.81 RORC (0.52) GPR119KDM4ENPC1RAB9AADRB2
SCHEMBL1006084 0.80 GPR119 (0.44) GPR119KCNH2KDM4ENPC1RAB9A
SCHEMBL1003866 0.80 GPR119 (0.48) GPR119KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US claimed
EP-2271619-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-01-12 EP claimed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 WO claimed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
EP-2271619-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 GPR119 1/4885KCNH2 1919/4885KDM4E 3120/4885

“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.