SCHEMBL5074071

SCHEMBL5074071

CCCCN1CCC(c2cn3cccc(C(N)=O)c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.48
PARP2 Q9UGN5 1/20 0.47
HTR4 Q13639 1/20 0.44
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
CHRM1 P11229 2/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 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 0.94 PARP1 (0.54) PARP1PARP2HTR4HTR1ADRD2
SCHEMBL5076386 0.89 PARP1 (0.43) PARP1PARP2HTR4
SCHEMBL5074083 0.86 PARP1 (0.49) PARP1PARP2HTR4
SCHEMBL5249681 0.85 PSEN1 (0.41) PARP1PARP2HTR4HTR1ADRD2
SCHEMBL7508321 0.82 HRH3 (0.48) DRD2DRD3
SCHEMBL5077376 0.82 GAA (0.45) PARP1DRD2DRD4ADRA1DDRD3
SCHEMBL5076312 0.81 PARP1 (0.52) PARP1PARP2HTR4KCNH2
SCHEMBL5071961 0.80 DHODH (0.42) PARP1PARP2CHRM1CHRM2ADRA1A
SCHEMBL5076355 0.79 DHODH (0.41) PARP1PARP2HTR4ADRA1A
SCHEMBL5076361 0.79 DHODH (0.41) PARP1PARP2HTR4ADRA1A

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 2/4885HTR4 1237/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885HTR4 757/4885

“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.