SCHEMBL3576895

SCHEMBL3576895

NC(=O)C1(c2cccc(Sc3ccc(-n4ncn(CC5CCCCC5)c4=O)cc3)c2)CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.54
PIK3CD O00329 1/20 0.35
OPRM1 P35372 3/20 0.32
ROCK2 O75116 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
OPRD1 P41143 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL3571691 0.96 ALOX5 (0.56) ALOX5PIK3CDOPRM1HRH3
SCHEMBL3563550 0.87 ALOX5 (0.59) ALOX5PIK3CDROCK2HRH3
SCHEMBL3572539 0.86 ALOX5 (0.55) ALOX5PIK3CDHRH3PDE4APDE4B
SCHEMBL3563685 0.86 ALOX5 (0.55) ALOX5PIK3CD
SCHEMBL3573752 0.86 ALOX5 (0.55) ALOX5PIK3CDHRH3PDE4APDE4B
SCHEMBL3573121 0.86 ALOX5 (0.56) ALOX5PIK3CD
SCHEMBL3565528 0.85 ALOX5 (0.36) ALOX5PIK3CDROCK2PDE4APDE4B
SCHEMBL3572207 0.85 ALOX5 (0.58) ALOX5PIK3CDROCK2HRH3
SCHEMBL3576301 0.85 ALOX5 (0.56) ALOX5PIK3CDHRH3PDE4APDE4B
SCHEMBL3572355 0.85 ALOX5 (0.58) ALOX5PIK3CDOPRM1ROCK2HRH3

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
US-7674811-B2 5-lipoxygenase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-09 US claimed
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-01-24 US claimed
EP-1834953-A1 Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors Ranbaxy Laboratories Limited (IN) 2007-09-19 EP claimed
US-7674811-B2 5-lipoxygenase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-09 US disclosed
US-20080021080-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-01-24 US disclosed
EP-1834953-A1 Tetrahydropyrane derivatives as 5-lipoxygenase inhibitors Ranbaxy Laboratories Limited (IN) 2007-09-19 EP 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-20080021080-A1 5-LIPOXYGENASE INHIBITORS ALOX5, ALOX15B, ALOX15 ALOX5 1/4885PIK3CD 2405/4885OPRM1 1238/4885

“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.