SCHEMBL5073451

SCHEMBL5073451

NC(=O)c1cccn2cc(-c3ccc(NCCCN4CCCCC4)cc3)nc12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.71
DHODH Q02127 1/20 0.46
HTR2A P28223 1/20 0.45
CHRNA7 P36544 8/20 0.43
KCNH2 Q12809 8/20 0.43
ACP1 P24666 3/20 0.41
BACE1 P56817 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR4 Q13639 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
SCHEMBL5077410 0.99 HRH3 (0.69) HRH3DHODHHTR2ACHRNA7KCNH2
SCHEMBL5074317 0.94 HRH3 (0.62) HRH3DHODHHTR2A
SCHEMBL5072007 0.93 HRH3 (0.61) HRH3DHODHHTR2AADRA2AADRA2B
SCHEMBL5253215 0.85 HRH3 (0.66) HRH3HTR2ACHRNA7KCNH2ACP1
SCHEMBL5420818 0.83 HRH3 (1.00) HRH3BACE1
SCHEMBL5416885 0.82 HRH3 (0.98) HRH3
SCHEMBL5076379 0.82 HRH3 (0.48) HRH3DHODHHTR2ACHRNA7
SCHEMBL5074314 0.81 HRH3 (0.63) HRH3DHODHKCNH2
SCHEMBL5250172 0.80 HRH3 (0.59) HRH3DHODHHTR2AKCNH2ADRA2A
SCHEMBL5074332 0.80 HRH3 (0.47) HRH3DHODHCHRNA7KCNH2

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HRH3 625/4885DHODH 4220/4885HTR2A 683/4885

“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.