SCHEMBL6816607

SCHEMBL6816607

C[C@@H]1CN(c2ccc3c(F)cccc3c2)CCN1CC[C@@H]1OCCc2cc(C(N)=O)ccc21

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.79
SLC6A4 P31645 11/20 0.79
HTR1A P08908 9/20 0.79
HTR1B P28222 11/20 0.76
DRD2 P14416 4/20 0.55
HTR2A P28223 3/20 0.55
DRD4 P21917 1/20 0.55
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL6811955 0.95 HTR1D (0.80) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6816636 0.90 HTR1D (0.85) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6812851 0.89 HTR1D (0.74) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6808227 0.88 HTR1D (1.00) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6811270 0.86 HTR1D (0.74) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6811543 0.86 HTR1D (1.00) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6808342 0.84 HTR1D (0.75) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6812166 0.84 HTR1D (0.79) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6808283 0.84 HTR1D (0.75) HTR1DSLC6A4HTR1AHTR1BDRD2
SCHEMBL6816614 0.83 HTR1D (0.84) HTR1DSLC6A4HTR1AHTR1BDRD2

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 2 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
WO-2004005298-A1 DERIVATIVES OF RIFABUTINE USEFUL AS ANTIMICROBIAL AGENTS INSTITUTO NACIONAL DE ENGENHARIA E TECNOLOGIA INDUSTRIAL (PT) 2004-01-15 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 124/4885SLC6A4 1958/4885HTR1A 264/4885

“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.