SCHEMBL3171285

SCHEMBL3171285

CC(C)(C)OC(=O)N1CCc2cc(COc3ccc4c(c3)CCN(S(C)(=O)=O)C4)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.57
▸ NR1H2 P55055 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ S1PR1 P21453 12/20 0.46
▸ GPR119 Q8TDV5 3/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL3170801 0.87 S1PR1 (0.52) ESR2ESR1S1PR1
SCHEMBL14781474 0.85 ESR2 (0.60) ESR2NR1H2ESR1S1PR1GPR119
SCHEMBL14781466 0.85 ESR2 (0.63) ESR2NR1H2ESR1S1PR1GPR119
SCHEMBL3180688 0.84 ESR2 (0.56) ESR2ESR1S1PR1
SCHEMBL23684926 0.84 ESR2 (0.64) ESR2NR1H2HRH3
SCHEMBL30739951 0.83 ESR2 (0.65) ESR2NR1H2ESR1GPR119
SCHEMBL169319 0.83 ESR2 (0.65) ESR2NR1H2ESR1GPR119
SCHEMBL30198876 0.82 GPR119 (0.60) ESR2NR1H2GPR119
SCHEMBL29097917 0.82 GPR119 (0.60) ESR2NR1H2GPR119
SCHEMBL14781486 0.82 ESR2 (0.56) ESR2NR1H2S1PR1

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 9 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
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 ESR2 218/4885NR1H2 27/4885ESR1 638/4885

“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.

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