SCHEMBL6551641

SCHEMBL6551641

COc1ccc2cccc(N3CCN(CCC4OCCc5cc(C(N)=O)sc54)C(C)C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.57
SLC6A4 P31645 10/20 0.57
DRD2 P14416 4/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR1A P08908 12/20 0.54
HTR1B P28222 8/20 0.54
MTNR1B P49286 1/20 0.42
HTR2A P28223 3/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A9 P48067 1/20 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
SCHEMBL6551644 1.00 HTR1D (0.57) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6552133 1.00 HTR1D (0.57) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6551704 0.90 HTR1D (0.62) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6551707 0.90 HTR1D (0.62) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6786239 0.90 HTR1D (0.62) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6551568 0.90 HTR1D (0.66) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6552766 0.90 HTR1D (0.66) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6551571 0.90 HTR1D (0.66) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6552907 0.85 HTR1D (0.75) HTR1DSLC6A4DRD2ADRA1DADRA1A
SCHEMBL6551563 0.85 HTR1D (0.75) HTR1DSLC6A4DRD2ADRA1DADRA1A

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
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E HTR1D 8/4885SLC6A4 33/4885DRD2 70/4885

“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.