SCHEMBL1004539

SCHEMBL1004539

CCc1cnc(N2CCC(Oc3ccc(NC4CCN(S(C)(=O)=O)CC4)cc3Cl)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
FPR2 P25090 3/20 0.42
PROKR1 Q8TCW9 3/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
RORC P51449 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
SCHEMBL12239185 0.87 GPR119 (0.42) GPR119RORC
SCHEMBL1006506 0.84 GPR119 (0.47) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1008624 0.82 GPR119 (0.47) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1004543 0.82 GPR119 (0.45) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1006028 0.80 GPR119 (0.46) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1005456 0.78 GPR119 (0.45) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1005476 0.77 GPR119 (0.46) GPR119FPR2PROKR1KDM4ENPC1
SCHEMBL1006023 0.77 GPR119 (0.47) GPR119FPR2PROKR1
SCHEMBL1005428 0.76 SCD (0.47) GPR119FPR2PROKR1
SCHEMBL1003936 0.76 GPR119 (0.46) GPR119RORC

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 3 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 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 1/4885SMN1; SMN2 3819/4885FPR2 400/4885

“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.