SCHEMBL4861936

SCHEMBL4861936

O=C1CSC(=O)N1CCCCNCCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.54
DRD4 P21917 13/20 0.54
DRD3 P35462 10/20 0.54
HTR1A P08908 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL4776890 0.84 HTR1A (0.56) HTR1AALDH1A1GAA
SCHEMBL4725722 0.83 HTR1A (0.56) HTR1AALDH1A1GAA
SCHEMBL4776817 0.83 HTR1A (0.56) HTR1AALDH1A1GAA
SCHEMBL5768086 0.82 HTR1A (0.58) HTR1AMEN1KMT2A
SCHEMBL4729790 0.75 ALDH1A1 (0.46) ALDH1A1GAAMEN1TSHRKMT2A
SCHEMBL11896615 0.73 DRD4 (1.00) DRD2DRD4DRD3GAA
SCHEMBL5745448 0.73 GAA (0.43) ALDH1A1GAAMEN1TSHRKMT2A
SCHEMBL8499789 0.73 GSK3A (0.70) ALDH1A1MEN1TSHRKMT2AGSK3A
Hydrochloric Acid SCHEMBL8055377 0.72 DRD4 (0.96) DRD2DRD4DRD3GAA
SCHEMBL10476759 0.72 DRD4 (0.95) DRD2DRD4DRD3GAA

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
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US claimed
EP-1711500-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY Schwarz Pharma, s.l. (ES) 2006-10-18 EP claimed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 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-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US disclosed
EP-1711500-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY Schwarz Pharma, s.l. (ES) 2006-10-18 EP disclosed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP disclosed
US-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2005-11-10 US disclosed
WO-2005075480-A1 DIAZA- OR THIAZADIONE DERIVATIVES WITH NEUROPROTECTIVE ACTIVITY SCHWARZ PHARMA S.L. (ES) 2005-08-18 WO disclosed
EP-1544201-A1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS Cepa Schwarz Pharma s.l. (ES) 2005-06-22 EP 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 (2 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-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications HTR3A, HTR1A, HTR5A DRD2 93/4885DRD4 84/4885DRD3 92/4885
US-20080200470-A1 Diaza- or Thiazadione Derivatives With Neuroprotective Activity HTR1A, HTR3A, HTR2A DRD2 36/4885DRD4 52/4885DRD3 59/4885

“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.