SCHEMBL3568013

SCHEMBL3568013

CCCn1cnn(-c2ccc(Sc3cccc(C4(C#N)CCOCC4)c3)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
PIK3CD O00329 2/20 0.36
CYP19A1 P11511 3/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ROCK2 O75116 2/20 0.32
KMT2A Q03164 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
CYP11B2 P19099 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
SCHEMBL3575056 0.95 ALOX5 (0.38) ALOX5PIK3CDCYP19A1CNR1CNR2
SCHEMBL3579278 0.93 ALOX5 (0.40) ALOX5PIK3CDCYP19A1CNR1CNR2
SCHEMBL3562712 0.91 ALOX5 (0.39) ALOX5PIK3CDCYP19A1ROCK2
SCHEMBL3576964 0.89 ALOX5 (0.39) ALOX5PIK3CDCYP19A1ROCK2PDE1A
SCHEMBL3565479 0.88 ALOX5 (0.42) ALOX5PIK3CDCYP19A1KMT2APDE1A
SCHEMBL3571105 0.88 ALOX5 (0.38) ALOX5PIK3CDCYP19A1ROCK2
SCHEMBL3570620 0.87 ALOX5 (0.37) ALOX5PIK3CDCYP19A1ROCK2CYP11B2
SCHEMBL3579160 0.87 ALOX5 (0.38) ALOX5PIK3CDCYP19A1ROCK2
SCHEMBL3565528 0.85 ALOX5 (0.36) ALOX5PIK3CDCYP19A1ROCK2
SCHEMBL3572207 0.84 ALOX5 (0.58) ALOX5PIK3CDCNR1CNR2ROCK2

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 2405/4885CYP19A1 200/4885

“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.