SCHEMBL16301258

SCHEMBL16301258

CCOC(=O)C(C)(C)CCCC(c1ccccc1C)N1CCc2sccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.48
CYP2C19 P33261 2/20 0.48
THRB P10828 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2B6 P20813 1/20 0.48
DRD1 P21728 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
P2RY12 Q9H244 1/20 0.48
CYP2C8 P10632 1/20 0.38
CES1 P23141 1/20 0.38
KCNQ2 O43526 2/20 0.36
PRMT5 O14744 4/20 0.35
WDR77 Q9BQA1 4/20 0.35

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
SCHEMBL16301257 0.95 ABCB11 (0.48) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL2722224 0.92 ABCB11 (0.57) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL8734952 0.90 ABCB11 (0.55) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL8737219 0.90 ABCB11 (0.55) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL2720893 0.90 ABCB11 (0.55) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL2721130 0.90 ABCB11 (0.54) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL19563372 0.90 ABCB11 (0.54) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL16301254 0.89 ABCB11 (0.46) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL2722956 0.87 ABCB11 (0.58) ABCB11CYP2C19THRBNR1I2CHRM2
SCHEMBL16301256 0.84 CYP2C19 (0.47) ABCB11CYP2C19THRBNR1I2CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349833-B2 Compounds, compositions and methods useful for cholesterol mobilisation CERENIS THERAPEUTICS HOLDING SA (FR) 2013-01-08 US disclosed
US-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-05-24 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-20120129856-A1 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CETP, NPC1L1, NPC1 ABCB11 9/4885CYP2C19 689/4885THRB 4248/4885

“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.