SCHEMBL4846027

SCHEMBL4846027

CCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.46
▸ BCHE P06276 4/20 0.46
▸ BACE1 P56817 4/20 0.46
▸ CARM1 Q86X55 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ UBE2M P61081 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ TEAD1 P28347 1/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ EP300 Q09472 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL3456705 0.81 ACHE (0.65) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL4717433 0.81 ACHE (0.50) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL4716922 0.78 BCHE (0.47) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL4714099 0.77 F2 (0.42) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL4846030 0.74 MCHR1 (0.42) MEN1UBE2MKMT2ADCUN1D1SLC6A5
SCHEMBL4716957 0.73 ACHE (0.47) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL4846034 0.73 KDM4E (0.37) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL13989041 0.71 ACHE (0.53) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL7257611 0.69 SLC6A5 (0.52) ACHEBCHEBACE1CARM1PRMT6
SCHEMBL7257651 0.68 SLC6A5 (0.51) ACHEBCHEBACE1CARM1PRMT6

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 8 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-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — 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-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 ACHE 2707/4885BCHE 2358/4885BACE1 786/4885

“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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