SCHEMBL6812014

SCHEMBL6812014

C[C@@H]1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCc2cc(C(N)=O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 13/20 1.00
SLC6A4 P31645 11/20 1.00
HTR1A P08908 7/20 1.00
DRD2 P14416 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61

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
SCHEMBL6811543 0.93 HTR1D (1.00) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811949 0.89 HTR1D (1.00) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811807 0.84 HTR1D (0.83) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811073 0.84 HTR1D (0.83) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811175 0.84 HTR1D (0.84) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6816614 0.84 HTR1D (0.84) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6816913 0.84 HTR1D (0.84) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811375 0.84 HTR1D (0.84) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6810913 0.83 HTR1D (0.82) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL6811577 0.83 HTR1D (0.82) HTR1DHTR1BSLC6A4HTR1ADRD2

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

“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.