SCHEMBL4838899

SCHEMBL4838899

CN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
BACE1 P56817 2/20 0.61
TEAD1 P28347 1/20 0.57
CHKA P35790 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
PHGDH O43175 1/20 0.50
SLC6A5 Q9Y345 4/20 0.49
CARM1 Q86X55 2/20 0.49
PRMT6 Q96LA8 2/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHEK1 O14757 1/20 0.43
SLC2A1 P11166 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL4208525 0.96 ACHE (0.65) BCHEACHEBACE1TEAD1CHKA
SCHEMBL3456705 0.86 ACHE (0.65) BCHEACHEBACE1TEAD1HRH3
SCHEMBL3457662 0.85 BCHE (0.57) BCHEACHEBACE1TEAD1HRH3
SCHEMBL3456633 0.84 ACHE (0.59) BCHEACHEBACE1TEAD1HRH3
SCHEMBL5556152 0.82 BCHE (0.64) BCHEACHEBACE1TEAD1HRH3
SCHEMBL17285880 0.82 SLC6A5 (0.53) BCHEACHEBACE1TEAD1SLC6A5
SCHEMBL6390812 0.81 ACHE (0.59) BCHEACHEBACE1TEAD1HRH3
SCHEMBL3629314 0.81 TEAD1 (0.58) BCHEACHEBACE1TEAD1HRH3
SCHEMBL3457833 0.81 MEN1 (0.59) BCHEACHEBACE1HRH3CARM1
Hydrochloric Acid SCHEMBL218521 0.80 BCHE (0.62) BCHEACHEBACE1TEAD1HRH3

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 16 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
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-7235566-B2 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 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
WO-2006063791-A1 3-BENZYLTHIO-1,2,4-TRIAZINE-5 (2H)-ONE AS PAF-AH INHIBITORS BAYER HEALTHCARE AG (DE) 2006-06-22 WO disclosed
WO-2006063813-A2 3-ARYLALKYL-SUBSTITUTED AND 3-HETEROARYLALKYL-SUBSTITUTED-1,2,4-TRIAZIN-5(2H)-ONES BAYER HEALTHCARE AG (DE) 2006-06-22 WO disclosed
EP-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 WO disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
EP-1326841-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SmithKline Beecham P.L.C. (GB) 2003-07-16 EP disclosed
WO-2002030904-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO 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 BCHE 2358/4885ACHE 2707/4885BACE1 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.