SCHEMBL4520723

SCHEMBL4520723

COc1cccc2c1C[C@@H](NC(=O)C(F)(F)F)CO2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
KCNH2 Q12809 5/20 0.46
SCN5A Q14524 5/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 2/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CNR1 P21554 1/20 0.43

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
SCHEMBL9786948 0.86 MTNR1A (0.61) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL4518453 0.86 MTNR1A (0.48) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL20554826 0.86 MTNR1A (0.48) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL28356770 0.85 MTNR1A (0.45) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL4517412 0.84 DRD2 (0.44) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4517409 0.84 DRD2 (0.44) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL13889139 0.82 HTR1A (0.49) MTNR1AMTNR1BHTR1ADRD2DRD1
SCHEMBL4519663 0.81 TP53 (0.48) SCN9AKCNH2SCN5ADRD2HTR2A
SCHEMBL4217159 0.79 MTNR1A (0.73) MTNR1AMTNR1BDRD2
SCHEMBL4504199 0.79 PGR (0.45) SCN9AKCNH2SCN5ADRD2HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A SCN9A 509/4885KCNH2 562/4885SCN5A 582/4885

“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.