SCHEMBL6811792

SCHEMBL6811792

CNC(=O)c1ccc2c(c1)CCOC2CCOS(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.55
DRD2 P14416 6/20 0.55
HTR2A P28223 5/20 0.55
HTR1B P28222 5/20 0.55
HTR1A P08908 4/20 0.55
DRD4 P21917 2/20 0.55
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
SLC6A4 P31645 2/20 0.37

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
SCHEMBL6812173 1.00 HTR1D (0.55) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6808402 0.88 HTR1D (0.53) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL5088740 0.88 HTR1D (0.53) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6810878 0.88 MAPT (0.46) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6811669 0.85 HTR1D (0.42) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6811442 0.85 HTR1D (0.42) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL8549578 0.83 HTR1D (0.62) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6812036 0.82 HTR1D (0.47) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL8554144 0.82 HTR1D (0.61) HTR1DDRD2HTR2AHTR1BHTR1A
SCHEMBL6995396 0.81 HTR1D (0.51) HTR1DDRD2HTR2AHTR1BHTR1A

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 124/4885DRD2 1606/4885HTR2A 2038/4885

“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.