SCHEMBL4998288

SCHEMBL4998288

CCCN(C)C1(CCc2ccc(Oc3nc4ccccc4[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.36
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5001614 0.78 LTA4H (0.44) LTA4HATP4AATP4BKCNH2
SCHEMBL2170043 0.76 ATP4A (0.53) LTA4HGRIN1GRIN2BATP4AATP4B
SCHEMBL2167936 0.76 OPRM1 (0.43) LTA4HGRIN1GRIN2BKDM4CRAB9A
SCHEMBL2168662 0.75 LTA4H (0.54) LTA4HGRIN1GRIN2BKDM4CRAB9A
SCHEMBL14117144 0.73 LTA4H (0.41) LTA4HGRIN1GRIN2BKDM4CRAB9A
SCHEMBL4998292 0.73 LTA4H (0.42) LTA4HGRIN1GRIN2BKDM4CRAB9A
SCHEMBL2168435 0.71 LTA4H (0.47) LTA4HGRIN1GRIN2BKDM4CMEN1
SCHEMBL5598128 0.70 LTA4H (0.54) LTA4HGRIN1GRIN2BRAB9AMEN1
SCHEMBL2169675 0.69 LTA4H (0.74) LTA4HGRIN1GRIN2BHTTACHE
SCHEMBL4998442 0.69 LTA4H (0.51) LTA4HSMN1; SMN2KCNH2

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 1/4885GRIN1 2002/4885GRIN2B 2303/4885

“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.