SCHEMBL3188527

SCHEMBL3188527

CC(C)OC(=O)N1CCC(CCCC(F)(F)c2ccc3c(c2)CCN(S(C)(=O)=O)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ GPR119 Q8TDV5 15/20 0.41
▸ FAAH O00519 1/20 0.40
▸ ABHD6 Q9BV23 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3179211 0.90 ESR1 (0.41) ESR1ESR2GPR119FAAHKDM2B
SCHEMBL3188599 0.88 GPR119 (0.41) ESR1ESR2GPR119KDM2BHDAC6
SCHEMBL3188465 0.84 MOGAT2 (0.45) ESR1ESR2GPR119FAAHKDM2B
SCHEMBL3176556 0.84 GPR119 (0.54) GPR119
SCHEMBL3171336 0.83 GPR119 (0.51) ESR1ESR2GPR119FAAHKDM2B
SCHEMBL3182393 0.83 GPR119 (0.58) ESR1ESR2GPR119FAAH
SCHEMBL3180461 0.83 GPR119 (0.44) ESR1ESR2GPR119FAAHKDM2B
SCHEMBL13531873 0.83 GPR119 (0.51) ESR1ESR2GPR119FAAHKDM2B
SCHEMBL3190809 0.83 ESR1 (0.41) ESR1ESR2GPR119FAAHABHD6
SCHEMBL3181175 0.82 ESR1 (0.43) ESR1ESR2GPR119FAAHKDM2B

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 ESR1 638/4885ESR2 218/4885GPR119 1/4885

“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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