SCHEMBL17519224

SCHEMBL17519224

CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 1.00
NR1H2 P55055 19/20 1.00

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
SCHEMBL17504920 1.00 NR1H3 (1.00) NR1H3NR1H2
SCHEMBL21433369 0.86 NR1H2 (0.76) NR1H3NR1H2
SCHEMBL21433372 0.86 NR1H2 (0.76) NR1H3NR1H2
SCHEMBL17505005 0.86 NR1H2 (1.00) NR1H3NR1H2
SCHEMBL17519286 0.86 NR1H2 (1.00) NR1H3NR1H2
SCHEMBL17519340 0.85 NR1H3 (0.81) NR1H3NR1H2
SCHEMBL17504954 0.85 NR1H2 (1.00) NR1H3NR1H2
SCHEMBL19214380 0.85 NR1H3 (0.81) NR1H3NR1H2
SCHEMBL17504984 0.85 NR1H3 (0.81) NR1H3NR1H2
SCHEMBL17519285 0.85 NR1H2 (1.00) NR1H3NR1H2

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
CN-106715413-B piperazine derivatives as liver X receptor modulators VITAE PHARMACEUTICALS, INC. (US) 2019-11-01 CN disclosed
US-20170226067-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
CN-106715413-A Piperazine derivatives as liver x receptor modulators 生命医药公司 2017-05-24 CN disclosed
WO-2016022521-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2016-02-11 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-20170226067-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS NR1H2, NR1H3, NR1I2 NR1H3 2/4885NR1H2 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.