SCHEMBL1006587

SCHEMBL1006587

CCc1cnc(N2CCC(Oc3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3-c3ccccc3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
LYN P07948 1/20 0.45
SRC P12931 1/20 0.45
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
KDR P35968 2/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13660325 0.89 DRD2 (0.43) GPR119IKBKBCHUKAKT1AKT2
SCHEMBL1006128 0.87 GPR119 (0.47) GPR119KDM4ENPC1RAB9A
SCHEMBL1004810 0.86 GPR119 (0.48) GPR119KDM4ENPC1RAB9A
SCHEMBL1008624 0.86 GPR119 (0.47) GPR119KDM4ENPC1RAB9A
SCHEMBL1006695 0.86 GPR119 (0.47) GPR119IKBKBKDM4ENPC1RAB9A
SCHEMBL1006217 0.86 GPR119 (0.47) GPR119KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL1054653 0.86 GPR119 (0.43) GPR119KDM4ENPC1RAB9A
SCHEMBL1005645 0.84 GPR119 (0.45) GPR119KDM4ENPC1RAB9A
SCHEMBL1004075 0.84 GPR119 (0.43) GPR119KDM4ENPC1RAB9A
SCHEMBL1007705 0.83 GPR119 (0.44) GPR119KDM4ENPC1RAB9ALMNA

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 1/4885LYN 3762/4885SRC 2418/4885

“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.