SCHEMBL4846945

SCHEMBL4846945

Cc1c(F)cc(-c2ccc(CNCCCN3CCCC3)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 2/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ DPP7 Q9UHL4 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ CXCR4 P61073 6/20 0.43
▸ HTR3A P46098 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ AKT2 P31751 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL4847988 0.99 SCN5A (0.47) SCN5AHDAC1DPP7MCHR1CXCR4
SCHEMBL4846025 0.93 DPP7 (0.51) DPP7MCHR1HTR3ACYP3A4CYP2D6
SCHEMBL3545636 0.92 DPP7 (0.50) SCN5ADPP7MCHR1HTR3ASLC2A1
SCHEMBL4848003 0.90 CYP2C19 (0.54) CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL4849283 0.83 TNKS2 (0.52) CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL6304885 0.78 CD274 (0.44) —
SCHEMBL3179432 0.78 DPP7 (0.66) SCN5AHDAC1DPP7CXCR4CYP3A4
SCHEMBL4844832 0.76 CD274 (0.42) HDAC1CYP2D6CYP2C19KMT2A
SCHEMBL3176696 0.75 DPP7 (0.72) SCN5AHDAC1DPP7CXCR4CYP3A4
SCHEMBL4713265 0.74 CD274 (0.42) CYP2D6

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 SCN5A 4196/4885HDAC1 2768/4885DPP7 312/4885

“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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