SCHEMBL5074083

SCHEMBL5074083

CN1CCC(c2cn3cccc(C(N)=O)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.49
PARP2 Q9UGN5 5/20 0.44
DHODH Q02127 1/20 0.40
MAP4K1 Q92918 1/20 0.39
PDE10A Q9Y233 1/20 0.39
TTK P33981 1/20 0.39
CHEK1 O14757 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL5074300 0.88 PARP1 (0.54) PARP1PARP2HTR4
SCHEMBL5076312 0.87 PARP1 (0.52) PARP1PARP2DHODHPDE10AHTR4
SCHEMBL5076386 0.87 PARP1 (0.43) PARP1PARP2DHODHPDE10AHTR4
SCHEMBL5071961 0.86 DHODH (0.42) PARP1PARP2DHODHPDE10A
SCHEMBL5074071 0.86 PARP1 (0.48) PARP1PARP2HTR4
SCHEMBL5076361 0.85 DHODH (0.41) PARP1PARP2DHODHPDE10ATTK
SCHEMBL5076355 0.85 DHODH (0.41) PARP1PARP2DHODHPDE10ATTK
SCHEMBL5074310 0.84 PARP1 (0.47) PARP1PARP2DHODHPDE10A
SCHEMBL5076301 0.83 PARP1 (0.50) PARP1PARP2DHODHPDE10AHTR4
SCHEMBL5254456 0.82 PARP1 (0.37) PARP1PARP2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7041675-B2 Heterocyclic compounds and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2006-05-09 US disclosed
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-17 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 (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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885PARP2 2/4885DHODH 4220/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885DHODH 1990/4885

“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.