SCHEMBL5077332

SCHEMBL5077332

CCCCN1CCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
AURKB Q96GD4 2/20 0.58
DHODH Q02127 1/20 0.47
HTR2A P28223 1/20 0.46
HRH3 Q9Y5N1 6/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
MT-CO2 P00403 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CHEK1 O14757 1/20 0.40

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
SCHEMBL5072047 0.96 AURKA (0.54) AURKAAURKBDHODHHTR2AHRH3
SCHEMBL5074072 0.94 AURKA (0.50) AURKAAURKBDHODHHTR2AHRH3
SCHEMBL5076308 0.90 DHODH (0.50) AURKAAURKBDHODHHTR2AHRH3
SCHEMBL5076357 0.87 DHODH (0.53) DHODHHTR2AHRH3KDM4EGAA
SCHEMBL5140690 0.86 DHODH (0.47) AURKAAURKBDHODHHTR2AHRH3
SCHEMBL5251170 0.86 DRD2 (0.47) AURKAAURKBHTR2AHRH3HTR1A
SCHEMBL5076369 0.83 DHODH (0.53) AURKAAURKBDHODHHTR2AKDM4E
SCHEMBL5074076 0.83 CHEK1 (0.49) DHODHHTR2AHRH3KDM4ECHEK1
SCHEMBL5253308 0.83 HRH3 (0.45) AURKAAURKBHTR2AHRH3HTR1A
SCHEMBL5076409 0.82 DHODH (0.50) DHODHHRH3KDM4EGAACHEK1

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 AURKA 3231/4885AURKB 2091/4885DHODH 4220/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 AURKA 1972/4885AURKB 1525/4885DHODH 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.