SCHEMBL3177067

SCHEMBL3177067

CCc1cnc(Oc2ccc(CCCOc3ccc4c(c3)CCN(S(C)(=O)=O)C4)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MOGAT2 Q3SYC2 11/20 0.41
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL3171153 0.91 HRH3 (0.47) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3171901 0.89 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL3171902 0.89 HRH3 (0.50) HRH3ESR1ESR2MOGAT2
SCHEMBL3181908 0.85 HRH3 (0.52) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3180738 0.84 HRH3 (0.53) HRH3ESR1ESR2MOGAT2
SCHEMBL3181283 0.84 HRH3 (0.48) HRH3ESR1ESR2MOGAT2
SCHEMBL3178851 0.84 HRH3 (0.47) HRH3ESR1ESR2MOGAT2OPRM1
SCHEMBL3191941 0.83 HRH3 (0.48) HRH3ESR1ESR2MOGAT2
SCHEMBL3177846 0.83 HRH3 (0.46) HRH3ESR1ESR2MOGAT2
SCHEMBL3171501 0.82 HRH3 (0.53) HRH3ESR1ESR2MOGAT2

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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 HRH3 665/4885ESR1 638/4885ESR2 218/4885

“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.