SCHEMBL3179114

SCHEMBL3179114

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ HDAC1 Q13547 2/20 0.43
▸ KDM2B Q8NHM5 1/20 0.41
▸ GPR119 Q8TDV5 14/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABHD6 Q9BV23 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
SCHEMBL3179124 1.00 ESR1 (0.46) ESR1ESR2HDAC1KDM2BGPR119
SCHEMBL3171918 0.86 ESR1 (0.43) ESR1ESR2HDAC1KDM2BGPR119
SCHEMBL3171912 0.86 ESR1 (0.43) ESR1ESR2HDAC1KDM2BGPR119
SCHEMBL3189285 0.85 ESR1 (0.43) ESR1ESR2HDAC1KDM2BGPR119
SCHEMBL3189272 0.85 ESR1 (0.43) ESR1ESR2HDAC1KDM2BGPR119
SCHEMBL3181100 0.77 ESR1 (0.46) ESR1ESR2KDM2BGPR119
SCHEMBL3178592 0.76 GPR119 (0.55) ESR1ESR2GPR119ABHD6
SCHEMBL3181247 0.76 ESR1 (0.47) ESR1ESR2KDM2BGPR119
SCHEMBL3176556 0.76 GPR119 (0.54) GPR119
SCHEMBL3188465 0.76 MOGAT2 (0.45) ESR1ESR2KDM2BGPR119

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 4 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
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

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 218/4885HDAC1 1241/4885

“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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