SCHEMBL4481872

SCHEMBL4481872

CCOC(=O)C1c2cc(O)ccc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.49
GHSR Q92847 15/20 0.42
ESR1 P03372 1/20 0.41
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2081445 0.91 ESR2 (0.49) ESR2GHSRESR1
SCHEMBL3294838 0.88 ESR2 (0.52) ESR2GHSRNR1H2
SCHEMBL3604525 0.88 GHSR (0.50) ESR2GHSR
SCHEMBL3993278 0.86 ESR2 (0.44) ESR2GHSRESR1NR1H2
SCHEMBL7511979 0.85 ESR2 (0.54) ESR2GHSRESR1NR1H2
SCHEMBL25895663 0.83 GHSR (0.46) GHSRNR1H2
SCHEMBL1201049 0.83 SMN1; SMN2 (0.48) GHSRMEN1KMT2A
SCHEMBL17391023 0.81 GHSR (0.47) GHSR
SCHEMBL17391179 0.81 GHSR (0.46) GHSRNR1H2MEN1KMT2A
SCHEMBL17833756 0.81 GHSR (0.39) GHSRNR1H2MEN1KMT2A

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-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-6872732-B2 Heterocyclic derivatives and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
US-20040180924-A1 Novel heterocyclic derivatives and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1398313-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 EP disclosed
US-6589963-B2 Drug salt thereof show a hypoglycemic action, a blood hypolipidemic action, an insulin resistance-improving action and a PPAR activating action, and are useful as a hypoglycemic agent, a hypolipidemic agent, an insulin KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed
US-20030027836-A1 Novel heterocyclic compounds and salts thereof and medicinal use of the same KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2003-02-06 US disclosed
EP-1236719-A1 NOVEL HETEROCYCLIC COMPOUNDS AND SALTS THEREOF AND MEDICINAL USE OF THE SAME Kyoto Pharmaceutical Industries, Ltd. (JP) 2002-09-04 EP 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 (3 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-20030027836-A1 Novel heterocyclic compounds and salts thereof and medicinal use of the same GPR119, PPARA, PPARG ESR2 311/4885GHSR 29/4885ESR1 655/4885
US-20040180924-A1 Novel heterocyclic derivatives and medicinal use thereof GPR119, INSR, GLP1R ESR2 890/4885GHSR 27/4885ESR1 1002/4885
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R ESR2 1319/4885GHSR 26/4885ESR1 1728/4885

“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.