SCHEMBL5074084

SCHEMBL5074084

O=C1NCCCc2c(OCCCCN3CCCCC3)cccc21

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.89
TRPM2 O94759 1/20 0.89
HRH3 Q9Y5N1 8/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL29478301 0.94 TRPM2 (1.00) PARP1TRPM2HRH3ALDH1A1KDM4E
SCHEMBL214027 0.94 TRPM2 (1.00) PARP1TRPM2HRH3ALDH1A1KDM4E
SCHEMBL7587804 0.91 TRPM2 (0.93) PARP1TRPM2HRH3ALDH1A1KDM4E
SCHEMBL7583074 0.87 PARP1 (0.87) PARP1TRPM2HRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6110455 0.79 HRH3 (0.60) PARP1TRPM2HRH3ALDH1A1HTR2A
SCHEMBL11807692 0.77 TRPM2 (0.60) PARP1TRPM2HRH3ALDH1A1KDM4E
SCHEMBL5076323 0.74 PARP1 (0.66) PARP1TRPM2ALDH1A1KDM4EKMT2A
SCHEMBL9196870 0.74 PARP1 (0.66) PARP1TRPM2
SCHEMBL7786369 0.73 TRPM2 (0.59) PARP1TRPM2HRH3ALDH1A1KDM4E
SCHEMBL7583746 0.73 ABCB1 (0.74) PARP1TRPM2CYP2D6CYP2C19

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 disclosed
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-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US 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

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 PARP1 1/4885TRPM2 1216/4885HRH3 625/4885

“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.