SCHEMBL1006695

SCHEMBL1006695

CCc1cnc(N2CCC(Oc3ccc(CN4CCN(S(C)(=O)=O)CC4)cc3Br)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.47
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
STAT3 P40763 1/20 0.43
UTS2R Q9UKP6 5/20 0.42
IKBKB O14920 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL1006128 0.90 GPR119 (0.47) GPR119KDM4ENPC1RAB9ARORC
SCHEMBL904081 0.90 KDM4E (0.42) GPR119KDM4ENPC1RAB9AALDH1A1
SCHEMBL1006217 0.89 GPR119 (0.47) GPR119KDM4ENPC1RAB9AALDH1A1
SCHEMBL1008624 0.89 GPR119 (0.47) GPR119KDM4ENPC1RAB9AUTS2R
SCHEMBL1004810 0.89 GPR119 (0.48) GPR119KDM4ENPC1RAB9ARORC
SCHEMBL13660399 0.88 UTS2R (0.43) GPR119UTS2R
SCHEMBL1005645 0.87 GPR119 (0.45) GPR119KDM4ENPC1RAB9ARORC
SCHEMBL1004783 0.86 GPR119 (0.44) GPR119KDM4ENPC1RAB9AALDH1A1
SCHEMBL1007705 0.86 GPR119 (0.44) GPR119KDM4ENPC1RAB9AALDH1A1
SCHEMBL1006587 0.86 GPR119 (0.45) GPR119KDM4ENPC1RAB9AALDH1A1

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 6 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

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 1/4885KDM4E 3120/4885NPC1 567/4885

“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.