SCHEMBL5076386

SCHEMBL5076386

CCN1CCC(c2cn3cccc(C(N)=O)c3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
PARP2 Q9UGN5 2/20 0.43
HTR4 Q13639 6/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
DHODH Q02127 1/20 0.38
PDE10A Q9Y233 1/20 0.37
HPGDS O60760 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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 0.91 PARP1 (0.54) PARP1PARP2HTR4KDM4E
SCHEMBL5074071 0.89 PARP1 (0.48) PARP1PARP2HTR4
SCHEMBL5074083 0.87 PARP1 (0.49) PARP1PARP2HTR4DHODHPDE10A
SCHEMBL5077376 0.86 GAA (0.45) PARP1
SCHEMBL5076312 0.84 PARP1 (0.52) PARP1PARP2HTR4DHODHPDE10A
SCHEMBL5248915 0.84 HPGDS (0.35) PARP1PARP2HTR4PDE10AHPGDS
SCHEMBL5071961 0.83 DHODH (0.42) PARP1PARP2DHODHPDE10AKDM4E
SCHEMBL5076361 0.82 DHODH (0.41) PARP1PARP2HTR4DHODHPDE10A
SCHEMBL5076355 0.82 DHODH (0.41) PARP1PARP2HTR4DHODHPDE10A
SCHEMBL5074310 0.81 PARP1 (0.47) PARP1PARP2DHODHPDE10A

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.