SCHEMBL6812258

SCHEMBL6812258

NC(=O)c1ccc2c(c1)CCCN2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.65
HTR1B P28222 8/20 0.65
SLC6A4 P31645 2/20 0.65
DRD2 P14416 1/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
KDM4E B2RXH2 1/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
HTR2A P28223 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL6812201 0.94 SLC6A4 (0.58) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6808681 0.90 SLC6A4 (0.54) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6811244 0.88 SLC6A4 (0.52) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6811492 0.86 HTR1D (0.64) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6811694 0.82 HTR1D (0.67) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6808322 0.82 HTR1D (0.76) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6811135 0.79 HTR1D (1.00) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6811345 0.79 HTR1D (1.00) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL6812206 0.77 DRD2 (0.52) HTR1DHTR1BSLC6A4DRD2ADRA1D
SCHEMBL8319340 0.76 SLC6A4 (0.60) HTR1DHTR1BSLC6A4DRD2ADRA1D

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.