SCHEMBL6808618

SCHEMBL6808618

CC(C)(NC(=O)c1ccc2c(c1)CCO[C@H]2CCO[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
HTR1D P28221 8/20 0.42
DRD2 P14416 5/20 0.42
HTR2A P28223 5/20 0.42
HTR1A P08908 3/20 0.42
HTR1B P28222 3/20 0.42
DRD4 P21917 2/20 0.42
THRB P10828 1/20 0.42
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
IMPDH2 P12268 1/20 0.37
MAPK8 P45983 1/20 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
SCHEMBL6812077 0.84 HTR1D (0.43) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL5097946 0.84 HTR1D (0.43) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL5093705 0.82 HTR1D (0.52) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6811129 0.82 HTR1D (0.52) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6811827 0.80 HTR1D (0.42) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6808310 0.76 ESR1 (0.36) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL5093583 0.76 THRB (0.36) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6812492 0.75 HTR1D (0.39) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL6812483 0.75 HTR1D (0.39) HTR1DDRD2HTR2AHTR1AHTR1B
SCHEMBL5092141 0.74 HTR1D (0.34) HTR1DDRD2HTR2AHTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 ROCK2 2286/4885HTR1D 124/4885DRD2 1606/4885

“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.