SCHEMBL6808079

SCHEMBL6808079

N#Cc1ccc2c(c1)COC2CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
TRPM5 Q9NZQ8 2/20 0.36
TRPM4 Q8TD43 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR1A P08908 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 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
SCHEMBL5088624 0.86 HTR1D (0.46) SLC6A4HTR1DHTR1BTRPM5TRPM4
SCHEMBL5092224 0.86 HTR1D (0.46) SLC6A4HTR1DHTR1BTRPM5TRPM4
SCHEMBL6810997 0.80 PPARA (0.43) SLC6A4HTR1DHTR1BADRA2AADRA2B
SCHEMBL14732577 0.80 SLC6A4 (0.38) SLC6A4HTR1DHTR1BHTR1ACHRNA1
SCHEMBL5088665 0.77 ADRA2A (0.38) TRPM5TRPM4ADRA2AADRA2BADRA2C
SCHEMBL23481105 0.76 PNMT (0.41) SLC6A4TRPM5TRPM4ADRA1ACHRNA1
SCHEMBL3291931 0.74 SLC6A4 (0.37) SLC6A4HTR1DHTR1BADRA1DADRA1A
SCHEMBL29618332 0.73 PNMT (0.44) TRPM5TRPM4CHRNA1CHRNGCHRNB1
SCHEMBL5090626 0.72 HTR1D (0.46) SLC6A4HTR1DHTR1BADRA2AADRA2B
SCHEMBL6810848 0.71 ESR1 (0.43)

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 SLC6A4 1958/4885HTR1D 124/4885HTR1B 373/4885

“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.