SCHEMBL5076409

SCHEMBL5076409

CC(C)N1CCN(c2ccc(-c3cn4cccc(C(N)=O)c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HTR4 Q13639 1/20 0.42
ALK Q9UM73 2/20 0.42
TGFBR1 P36897 2/20 0.41
ACVR1 Q04771 2/20 0.41
F12 P00748 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
FYN P06241 2/20 0.40
CHEK1 O14757 1/20 0.40
CREBBP Q92793 1/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5076357 0.88 DHODH (0.53) DHODHHRH3ALDH1A1KDM4EMAPT
SCHEMBL5076308 0.85 DHODH (0.50) DHODHHRH3ALDH1A1KDM4EMAPT
SCHEMBL5255275 0.85 TLR9 (0.46) DHODHTLR9TLR7HRH3ALK
SCHEMBL5074076 0.84 CHEK1 (0.49) DHODHHRH3KDM4EMAPTCHEK1
SCHEMBL5073335 0.84 DHODH (0.53) DHODHTLR9TLR7TGFBR1ACVR1
SCHEMBL5074072 0.84 AURKA (0.50) DHODHHRH3ALDH1A1KDM4EPKM
SCHEMBL5140690 0.82 DHODH (0.47) DHODHHRH3KDM4EMAPTCHEK1
SCHEMBL5077332 0.82 AURKA (0.58) DHODHHRH3KDM4ECHEK1GAA
SCHEMBL5076369 0.81 DHODH (0.53) DHODHALDH1A1KDM4EMAPT
SCHEMBL5073422 0.80 DHODH (0.49) DHODHTGFBR1ACVR1CREBBPBMPR1B

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 DHODH 4220/4885TLR9 256/4885TLR7 397/4885
US-20030134843-A1 Heterocyclic compounds and their use as parp inhibitors PARP1, PARP2, PARP11 DHODH 1990/4885TLR9 1835/4885TLR7 2013/4885

“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.