SCHEMBL6811129

SCHEMBL6811129

CC(C)(C)[Si](C)(C)OCCC1OCCc2cc(C(N)=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.52
HTR1A P08908 4/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
DRD4 P21917 1/20 0.52
HTR1B P28222 11/20 0.48
SLC6A4 P31645 4/20 0.46

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
SCHEMBL5093705 1.00 HTR1D (0.52) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL5097946 0.91 HTR1D (0.43) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6812077 0.91 HTR1D (0.43) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL5097864 0.90 HTR1D (0.42) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6811827 0.88 HTR1D (0.42) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6808310 0.84 ESR1 (0.36) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL5092368 0.84 HTR1D (0.36) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6812492 0.83 HTR1D (0.39) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6812483 0.83 HTR1D (0.39) HTR1DHTR1ADRD2HTR2ADRD4
SCHEMBL6808618 0.82 ROCK2 (0.42) HTR1DHTR1ADRD2HTR2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR1D 124/4885HTR1A 264/4885DRD2 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.