SCHEMBL1668628

SCHEMBL1668628

CS(=O)(=O)N1CCN(c2cnc(OC3CN(Cc4ccc(OC(F)(F)F)cc4)C3)cn2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KDR P35968 1/20 0.36
ETV6 P41212 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE9A O76083 2/20 0.35
CHRM4 P08173 1/20 0.35
TEAD1 P28347 3/20 0.35
PRKAA2 P54646 1/20 0.35
EPHX2 P34913 1/20 0.35
GRM2 Q14416 1/20 0.34
DRD4 P21917 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1668706 0.90 KDM4E (0.45) LIPEFNTAPGGT1BALDH1A1KDR
SCHEMBL1668657 0.86 KDR (0.39) ALDH1A1KDRETV6PDE9AGPR119
SCHEMBL12198300 0.83 ABHD6 (0.41) LIPEFNTAPGGT1BCHRM2CHRM1
SCHEMBL1668348 0.82 KDM4E (0.45) FNTAPGGT1BALDH1A1KDRETV6
SCHEMBL12198306 0.81 LIPE (0.41) LIPEFNTAPGGT1BALDH1A1TSHR
SCHEMBL15368990 0.80 KDR (0.41) ALDH1A1KDRETV6CHRM2CHRM1
SCHEMBL2508495 0.78 CHRM2 (0.44) LIPEALDH1A1TSHRCHRM2CHRM1
SCHEMBL1668307 0.77 KDR (0.45) KDRETV6PDE1BPDE9AGPR119
SCHEMBL1668538 0.77 KDM4E (0.51) LIPEALDH1A1PRKAA2KDM4EGPR119
SCHEMBL12198260 0.74 KDM4E (0.48) LIPEALDH1A1PRKAA2KDM4EGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US claimed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 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-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 LIPE 1312/4885FNTA 1780/4885PGGT1B 253/4885

“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.