SCHEMBL4998290

SCHEMBL4998290

CC(CCN)(CCc1ccc(Oc2nc3ccccc3[nH]2)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
KCNH2 Q12809 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL4693947 0.78 LTA4H (0.54) LTA4HKCNH2
SCHEMBL5001616 0.78 LTA4H (0.44) LTA4HKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL2168439 0.74 LTA4H (0.47) LTA4HKCNH2GRIN1GRIN2BNPC1
SCHEMBL2167939 0.73 LTA4H (0.43) LTA4HKCNH2GRIN1GRIN2BNPC1
SCHEMBL2168442 0.73 LTA4H (0.47) LTA4HKCNH2GRIN1GRIN2BNPC1
SCHEMBL6361890 0.73 LTA4H (0.48) LTA4HKCNH2GRIN1GRIN2BNPC1
SCHEMBL2168662 0.72 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL2168435 0.71 LTA4H (0.47) LTA4HKCNH2GRIN1GRIN2BLMNA
SCHEMBL6362304 0.71 LTA4H (0.48) LTA4HKCNH2GRIN1GRIN2BNPC1
SCHEMBL2169203 0.70 LTA4H (0.75) LTA4HKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 2161/4885GRIN1 2002/4885

“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.