SCHEMBL4519663

SCHEMBL4519663

CCc1cccc2c1C[C@@H](NC(=O)C(F)(F)F)CO2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45
DRD3 P35462 3/20 0.45
SCN9A Q15858 12/20 0.44
KCNH2 Q12809 8/20 0.44
SCN5A Q14524 8/20 0.44

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
SCHEMBL4520723 0.81 SCN9A (0.46) DRD2HTR2ASCN9AKCNH2SCN5A
SCHEMBL4504199 0.80 PGR (0.45) DRD2HTR2ADRD3SCN9AKCNH2
SCHEMBL31277869 0.78 TP53 (0.53) TP53DRD2HTR2ADRD3
SCHEMBL4513633 0.78 TP53 (0.53) TP53DRD2HTR2ADRD3
SCHEMBL21810914 0.78 TP53 (0.53) TP53DRD2HTR2ADRD3
SCHEMBL4519989 0.76 DRD2 (0.35) TP53DRD2HTR2ADRD3SCN9A
SCHEMBL21810779 0.76 MTNR1A (0.48) TP53DRD2HTR2ADRD3
SCHEMBL21810781 0.76 MTNR1A (0.48) TP53DRD2HTR2ADRD3
SCHEMBL4517412 0.75 DRD2 (0.44) DRD2HTR2ADRD3SCN9AKCNH2
SCHEMBL4517409 0.75 DRD2 (0.44) DRD2HTR2ADRD3SCN9AKCNH2

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 4 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
CN-101228121-A Novel 8-sulfonyl-3 aminosubstituted chroman or tetrahydronaphtalene derivatives modulating the 5HT6 receptor ASTRAZENECA AB (SE) 2008-07-23 CN 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 TP53 4228/4885DRD2 56/4885HTR2A 4/4885

“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.