SCHEMBL4846034

SCHEMBL4846034

CCN1CCC(NCc2ccc(-c3cc(F)c(C)c(F)c3F)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACHE P22303 4/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ BCHE P06276 2/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ RECQL P46063 1/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ CCR3 P51677 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL4849455 0.80 ACHE (0.44) KDM4EACHEBACE1BCHECARM1
SCHEMBL4846267 0.79 KDM4E (0.37) KDM4EL3MBTL1ACHEBACE1BCHE
SCHEMBL4714099 0.75 F2 (0.42) KDM4EACHEBACE1BCHECARM1
SCHEMBL4846027 0.73 ACHE (0.46) ACHEBACE1BCHECARM1PRMT6
SCHEMBL2673667 0.67 ACHE (0.38) ACHEBACE1BCHECARM1PRMT6
SCHEMBL6371941 0.64 ACHE (0.48) ACHEBACE1BCHE
SCHEMBL6372171 0.64 OPRM1 (0.35) KDM4E
SCHEMBL4717433 0.62 ACHE (0.50) ACHEBACE1BCHECARM1PRMT6
SCHEMBL6371291 0.62 ALDH1A1 (0.34) KDM4E
Hydrochloric Acid SCHEMBL2673336 0.62 EP300 (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B KDM4E 3484/4885L3MBTL1 3619/4885ACHE 2707/4885

“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.

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