SCHEMBL6552125

SCHEMBL6552125

NC(=O)c1sc2c(c1F)CCOC2CCO

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1D P28221 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL6552180 0.70 TAAR1 (0.40) DRD2HTR1DTAAR1
SCHEMBL6794127 0.64 PNMT (0.40) DRD2HTR1DSLC6A4TAAR1
SCHEMBL6810914 0.62 DRD1 (0.41) DRD2HTR1DSLC6A4
SCHEMBL6551697 0.61 TAAR1 (0.72) DRD2TAAR1
SCHEMBL7482154 0.60 ADORA1 (0.37)
SCHEMBL6812048 0.59 HTR1D (0.56) DRD2HTR1DSLC6A4
SCHEMBL5093578 0.59 HTR1D (0.56) DRD2HTR1DSLC6A4
SCHEMBL6811406 0.58 HTR1D (0.39) DRD2HTR1DSLC6A4
SCHEMBL20906645 0.57 ALDH1A1 (0.52) DRD2ADRA1DHTR1DADRA1AADRA1B
SCHEMBL6640390 0.57 ALDH1A1 (0.52) DRD2ADRA1DHTR1DADRA1AADRA1B

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 DRD2 70/4885ADRA1D 28/4885HTR1D 8/4885

“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.