SCHEMBL4712779

SCHEMBL4712779

CCN1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
CCR5 P51681 2/20 0.44
UBE2M P61081 6/20 0.42
DCUN1D1 Q96GG9 6/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
OPRM1 P35372 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
DRD3 P35462 1/20 0.39

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
SCHEMBL4950673 0.91 CCR5 (0.50) DRD2CCR5UBE2MDCUN1D1KMT2A
SCHEMBL3542065 0.80 KCNH2 (0.56) DRD2CCR5UBE2MDCUN1D1KCNH2
SCHEMBL3532809 0.78 DRD2 (0.49) DRD2CCR5UBE2MDCUN1D1KCNH2
SCHEMBL3539247 0.77 CCR5 (0.58) DRD2CCR5UBE2MDCUN1D1KCNH2
SCHEMBL13800059 0.73 OPRM1 (0.49) DRD2KMT2AMEN1RAB9AKCNH2
Bamipine SCHEMBL29626 0.72 KCNH2 (0.66) DRD2CCR5KMT2AMEN1RAB9A
Bamipine SCHEMBL4424873 0.71 KCNH2 (0.64) DRD2CCR5KMT2AMEN1RAB9A
SCHEMBL13080536 0.70 OPRM1 (0.54) KMT2AMEN1RAB9AOPRM1
SCHEMBL5969537 0.70 CCR5 (0.49) DRD2CCR5UBE2MDCUN1D1KCNH2
SCHEMBL24538034 0.70 OPRM1 (0.46) DRD2KMT2AMEN1RAB9AKCNH2

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 4 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
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-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 DRD2 4178/4885CCR5 1541/4885UBE2M 3641/4885

“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.