SCHEMBL4776890

SCHEMBL4776890

CCOc1ccccc1OCCNCCCCN1C(=O)CSC1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.56
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL4776817 0.99 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4725722 0.99 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5768086 0.85 HTR1A (0.58) HTR1A
SCHEMBL4861936 0.84 DRD2 (0.54) HTR1AALDH1A1GAA
Hydrochloric Acid SCHEMBL8055394 0.75 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL4781671 0.73 HTR1A (0.98) HTR1A
SCHEMBL4797140 0.72 HTR1A (0.93) HTR1A
SCHEMBL4903356 0.72 HTR1A (0.91) HTR1A
SCHEMBL345500 0.71 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL7846002 0.70 ALDH1A1 (0.44) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity SCHWARTZ PHARMA S.L 2008-08-21 US claimed
WO-2008015538-A2 USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE SCHWARZ PHARMA S.L. (ES) 2008-02-07 WO claimed
EP-1711500-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY Schwarz Pharma, s.l. (ES) 2006-10-18 EP claimed
WO-2005075480-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY SCHWARZ PHARMA S.L. (ES) 2005-08-18 WO claimed
US-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity SCHWARTZ PHARMA S.L 2008-08-21 US disclosed
US-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity SCHWARTZ PHARMA S.L 2008-08-21 US disclosed
US-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity SCHWARTZ PHARMA S.L 2008-08-21 US disclosed
WO-2008015538-A2 USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE SCHWARZ PHARMA S.L. (ES) 2008-02-07 WO disclosed
WO-2008015538-A2 USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE SCHWARZ PHARMA S.L. (ES) 2008-02-07 WO disclosed
CN-1914209-A Diaza- or thiazadione derivatives with neuroprotective activity CEPA SCHWARZ PHARMA S L (ES) 2007-02-14 CN disclosed
EP-1711500-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY Schwarz Pharma, s.l. (ES) 2006-10-18 EP disclosed
WO-2005075480-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY SCHWARZ PHARMA S.L. (ES) 2005-08-18 WO 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-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity HTR1A, HTR3A, HTR2A HTR1A 1/4885ADRA1D 37/4885ADRA1A 39/4885

“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.