SCHEMBL6552783

SCHEMBL6552783

CC(C)(C)[Si](C)(C)OCCC1OCCc2cc(C(N)=O)sc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
NOTUM Q6P988 4/20 0.33
PNMT P11086 1/20 0.32
MAP3K14 Q99558 1/20 0.31
DRD2 P14416 3/20 0.30
HTR1D P28221 3/20 0.30
HTR2A P28223 3/20 0.30
HTR1A P08908 2/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL6552858 0.91 DAO (0.32) TAAR1
SCHEMBL6552180 0.80 TAAR1 (0.40) TAAR1NOTUMPNMTDRD2HTR1D
SCHEMBL6553050 0.76 DRD2 (0.42) DRD2HTR1D
SCHEMBL6552901 0.76 DRD2 (0.36) DRD2HTR1D
SCHEMBL5093705 0.76 HTR1D (0.52) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL6811129 0.76 HTR1D (0.52) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL6551590 0.74 TAAR1 (0.59) TAAR1DRD2HTR1A
SCHEMBL6552136 0.72 HPGD (0.35) TAAR1DRD2HTR1DHTR2AHTR1A
SCHEMBL6812077 0.71 HTR1D (0.43) DRD2HTR1DHTR2AHTR1ADRD4
SCHEMBL5097946 0.71 HTR1D (0.43) DRD2HTR1DHTR2AHTR1ADRD4

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
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E TAAR1 150/4885NOTUM 2325/4885PNMT 152/4885

“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.